smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1c(=O)cc(C2CC2)c2cc(N3C(=O)[C@@H](C)C(=O)N3c3ccccc3)ccc21 1857540432 CUCHLYGDCMLYRV-HNNXBMFYSA-N 401.466 3.830 10 1 HHCF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587275401 DEGCCVNROAPKOO-VEVIJQCQSA-N 405.414 3.788 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)cc2)N1 587765260 JAQYSDMMLQFVRV-ZUOKHONESA-N 404.327 3.621 10 1 HHCF Cc1ccc(OC[C@@]2(c3ccc(O)cc3O)NCCc3nc4ccccn4c32)cc1C 962994474 KQMZDKXNWDEDTN-VWLOTQADSA-N 415.493 3.831 10 1 HHCF C/C=C\[C@H](O)[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 38427128 CRCKMDDPCOAZQX-BQUOTFMISA-N 404.418 3.623 10 1 HHCF CC(C)(C)OC(=O)NCCCn1c2c(c3ccc(N)cc3c1=O)C(=O)c1ccccc1-2 95554231 DWCTVYPLEDSZBY-UHFFFAOYSA-N 419.481 3.710 10 1 HHCF Cc1c(O)ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963185130 KLQAMECFUDUXSJ-NHYWBVRUSA-N 401.768 3.767 10 1 HHCF CCCn1c(O)c(/N=N\C(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21 102540648 AMYRUXAJQVBFNJ-IZHYLOQSSA-N 408.458 3.735 10 1 HHCF CCCS(=O)(=O)N1CCC(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 586953786 ZPOSZTSHSVQTFM-UHFFFAOYSA-N 414.531 3.857 10 1 HHCF O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 58592400 ZVSVPRJFJDUJRH-ZZXKWVIFSA-N 407.297 3.762 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 587412643 NRODPOWQAQOKOY-RPWUZVMVSA-N 417.417 3.709 10 1 HHCF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CN3CCOCC3)c1)CC2=O 587473652 AXZIAFFKJUNYQS-XMMPIXPASA-N 411.498 3.763 10 1 HHCF C[C@H](O)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772618081 BTCBAKVOIHWTHO-LLJLJFOGSA-N 424.541 3.691 10 1 HHCF O=C(Nc1ccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)cc1)c1ccccc1 64454376 PZCABSFOELENFR-UHFFFAOYSA-N 404.394 3.724 10 1 HHCF COC(=O)Cc1ccc(-n2c(C)cc([C@@H]3NCCc4c(C(=O)O)cccc43)c2C)cc1 963126697 WXLPLCYUKPWBFV-XMMPIXPASA-N 418.493 3.743 10 1 HHCF CC1(C)C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2c(O)cc(O)cc2O1 962729107 GUTMOLXXBKMWPU-VBKZILBWSA-N 407.388 3.548 10 1 HHCF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O 587438591 HCAZNQBBOWBJRE-YHDSWLEOSA-N 417.461 3.896 10 1 HHCF CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 13153624 IVFLOMBMZSYNAC-HNKZQRQQSA-N 417.527 3.901 10 1 HHCF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 40836417 MLAWLJSNDKWVAB-ZCLKFWSFSA-N 403.519 3.574 10 1 HHCF COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 42922792 FFIMRHNFUYACRL-UHFFFAOYSA-N 410.451 3.897 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586948433 GILYPPIXKLHBQP-UHFFFAOYSA-N 421.784 3.859 10 1 HHCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O 587805882 IBMOISUATNYSHK-GLEZIHRCSA-N 412.255 3.640 10 1 HHCF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587043467 RAVMWNSUCCTSSZ-MRXNPFEDSA-N 419.506 3.958 10 1 HHCF CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 13153625 IVFLOMBMZSYNAC-PMUIAIRXSA-N 417.527 3.901 10 1 HHCF COc1cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c(OC)c(O)c1O 961753937 YVZLUYVGHLPPSK-OAHLLOKOSA-N 406.276 3.645 10 1 HHCF CC=C[C@H](O)[C@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356384828 CRCKMDDPCOAZQX-WFASDCNBSA-N 404.418 3.623 10 1 HHCF COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc12 587275691 FUVJBMLUTYWIDI-OGHNNQOOSA-N 405.414 3.788 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c21 587149552 VAEDBKSEYAYNGD-UHFFFAOYSA-N 417.352 3.965 10 1 HHCF COc1cc(O)c2c(c1Br)C(=O)N1c3cc4c(nc3CO[C@H]21)CCCC4 28951066 IFZASFRMJZIYNR-LJQANCHMSA-N 417.259 3.626 10 1 HHCF COc1cc(Cn2cc(C(=O)C(=O)c3ccc(Cl)cc3Cl)nn2)cc(OC)c1 96932344 IFMVHANZSFLVOX-UHFFFAOYSA-N 420.252 3.716 10 1 HHCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2ccccc12 26844069 WGMQEWPAWRZGLI-UHFFFAOYSA-O 408.503 3.941 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586947983 ATJBXSPOOHKQJZ-UHFFFAOYSA-N 405.785 3.979 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 587766436 NHQXZYBFEAXQJN-QKKBWIMNSA-N 418.354 3.796 10 1 HHCF Cc1ccnc2c1CCN[C@H]2c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)O)cc2)c1C 963065369 DGZGIVQGTXGJHO-SBUREZEXSA-N 405.498 3.885 10 1 HHCF Cc1nc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(CO)c(C)c1O 103278202 OJAXMILUMBFGAG-GHVJWSGMSA-N 413.459 3.508 10 1 HHCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O 587807792 NLEGFURYGJHOPS-GLEZIHRCSA-N 412.255 3.640 10 1 HHCF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962729077 GKCVPIUZZDAYAA-UTKZUKDTSA-N 421.415 3.709 10 1 HHCF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356288560 HBEPVBRKVINNRM-CUYJMHBOSA-N 408.542 3.765 10 1 HHCF CC[C@H](C)[C@@H](Nc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12)C(=O)O 5848666 BNQAVSGRANMVFF-MGPUTAFESA-N 422.529 3.591 10 1 HHCF Cc1ccc(CCNC(=O)c2cnn3c(O)c(Cc4ccccc4F)c(C)nc23)cc1 108774715 CVYKPNLJOXKWQT-UHFFFAOYSA-N 418.472 3.754 10 1 HHCF Cc1ccc2c(N3CCN(CCc4cccc5c4ccc(=O)n5C)CC3)cccc2n1 64560538 SITWRYHARVINLW-UHFFFAOYSA-N 412.537 3.760 10 1 HHCF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)OCCCO4)C2)cc1 1772637153 ZMMKLBCPNOKTAG-LAUBAEHRSA-N 410.514 3.745 10 1 HHCF CC(C)C(=O)O[C@@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49068038 VXKSFHAKXZVXGU-ZCFIWIBFSA-N 403.796 3.576 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)cc2)N1 587765258 JAQYSDMMLQFVRV-XCLFUZPHSA-N 404.327 3.621 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 587777119 ZHLCHAWUPCCQPW-FKIZINRSSA-N 421.310 3.754 10 1 HHCF CO[C@H]1CN(c2ccc(OCC3CC3)cc2)C[C@@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772628065 BJEAOEQKASPXKA-HDBFHEOPSA-N 424.541 3.955 10 1 HHCF COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc12 587275693 FUVJBMLUTYWIDI-PBFPGSCMSA-N 405.414 3.788 10 1 HHCF COC(=O)c1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807248 LOOKXMBYELZSNN-DGIBIBHMSA-N 408.267 3.878 10 1 HHCF CC(=O)c1cccc(-c2ccc(NC(=O)c3cc(O)c(O)c(O)c3)c([N+](=O)[O-])c2)c1 73197009 BWNAIPSHBVYRLI-UHFFFAOYSA-N 408.366 3.834 10 1 HHCF Cc1nc2c(C(=O)N[C@H](C)c3ccccc3)cnn2c(O)c1Cc1ccccc1F 82230264 CTLXYSNODJXTPV-CQSZACIVSA-N 404.445 3.964 10 1 HHCF CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 101900413 IVFLOMBMZSYNAC-YAKIMEMVSA-N 417.527 3.901 10 1 HHCF NS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587079330 CPKZZTDTYQBBTR-JCGVRSQUSA-N 400.891 3.690 10 1 HHCF COc1cc2c3c(c1)N(C)CCN3[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)C[C@@H]21 38480151 ODXIOKASJQTTEX-VXKWHMMOSA-N 423.532 3.925 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587761581 QDJOEMFZIGULNA-JEOXALJRSA-N 419.294 3.733 10 1 HHCF COc1cccc2c1ccc1nc3cccc(C(=O)NCCN4CCCC4)c3nc12 27869065 IQMPWMHGCQAKKF-UHFFFAOYSA-N 400.482 3.770 10 1 HHCF COc1c(OCCF)cccc1[C@@H](O)C1CCN(CCc2ccc(N)cc2)CC1 40423862 CAUYUEPZSQLJNS-QFIPXVFZSA-N 402.510 3.614 10 1 HHCF COc1cccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)c1 49054618 WSLIYZMJLOJCNF-UHFFFAOYSA-N 400.416 3.721 10 1 HHCF COc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 53294096 SBHLOXKSQNXFIK-UHFFFAOYSA-N 416.433 3.616 10 1 HHCF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587267938 JAIVBRREMHBUKQ-UHFFFAOYSA-N 415.409 3.615 10 1 HHCF Cc1cc2c(O)nc(CSC(=S)NCc3ccc([N+](=O)[O-])cc3)nc2s1 1857632244 CNRAUMCMQZOOKW-UHFFFAOYSA-N 406.514 3.921 10 1 HHCF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N4)[C@@H](C2)C3=O 587438589 HCAZNQBBOWBJRE-LYGBLZLOSA-N 417.461 3.896 10 1 HHCF COC(=O)C1=C(CN=[N+]=[N-])N=C(c2ccccn2)N[C@H]1c1ccc(F)cc1Cl 1772644566 LILALHMRDPDNKK-INIZCTEOSA-N 400.801 3.703 10 1 HHCF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccc(N(C)C)cc3)C2)O1 96018793 MMARAEGBZDRCIN-UPVQGACJSA-N 401.595 3.915 10 3 HHCF COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2c1 587785560 NPNKSTYTTDYRRS-ARJAWSKDSA-N 419.231 3.702 10 1 HHCF Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2cc(Br)ccc21 821845 BTVQHCPVHBBQLN-QURGRASLSA-N 415.247 3.687 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4845890 UVOIZGYJDKPXFY-STXHMFSFSA-N 407.422 3.621 10 1 HHCF COc1c(O)c(O)cc2c1CC[C@H]1[C@@H]2O[C@H]2C[C@@H](c3ccc(O)cc3)CC[C@@H]2[C@H]1O 85596390 SOMVMWASPGNDQA-CESALGGPSA-N 412.482 3.759 10 1 HHCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2O)N1 587777123 ZHLCHAWUPCCQPW-YUNKPMOVSA-N 421.310 3.754 10 1 HHCF COC(=O)C1=C(CN=[N+]=[N-])N=C(c2ccccn2)N[C@@H]1c1ccc(F)cc1Cl 1772644568 LILALHMRDPDNKK-MRXNPFEDSA-N 400.801 3.703 10 1 HHCF O=C(C(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2)c1ccc(O)cc1 13431881 ZHQNPYUTOBOVDN-IBGZPJMESA-N 406.390 3.641 10 1 HHCF biogenic Cc1nnn2c1-c1ccc(-c3cnc(=N)[nH]c3)cc1N(c1ccc(Cl)cc1)CC2 1857760085 MGMFNQOIEOVLEJ-UHFFFAOYSA-N 403.877 3.928 10 1 HHCF COc1cc(C=Cc2cc3c(c(=O)o2)-c2cc(O)c(O)cc2[C@@H](OC)O3)ccc1O 2356652928 UZQPGXYTBRUVFG-QFIPXVFZSA-N 410.378 3.640 10 1 HHCF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(CN(C)C)c1O 587574822 ZAKHILANSCQVLD-RDPSFJRHSA-N 421.449 3.871 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 587777120 ZHLCHAWUPCCQPW-MPBGBICISA-N 421.310 3.754 10 1 HHCF COc1cc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962977354 OVGNZKYDBSPIFI-KPZWWZAWSA-N 418.223 3.848 10 1 HHCF CC=C[C@H](O)[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356384819 CRCKMDDPCOAZQX-DOMZBBRYSA-N 404.418 3.623 10 1 HHCF COc1ccccc1C(=O)Nc1cccc(N2CCC(NCC3CCOCC3)CC2)c1 11912644 CANJNXIMASBBNQ-UHFFFAOYSA-N 423.557 3.933 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587743214 CRLIKXAAKWTFHB-ANRSDYALSA-N 411.227 3.834 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1C[C@@H](C)CC2 4201010 DRIVUZOCVWJTKJ-GNNBREFNSA-N 403.500 3.511 10 1 HHCF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(C)n1-c1ccc(N(C)C)cc1 962905326 PJCLNAPHCUCMCP-GOTSBHOMSA-N 407.489 3.988 10 1 HHCF C[C@@H]1COCCN1c1ccc(OCc2ccccc2)c(C(=O)Nc2ccnnc2)c1 1857535648 RMQJXUQZNIBWQJ-QGZVFWFLSA-N 404.470 3.533 10 1 HHCF COc1cccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)c1 89455613 RYBGJLUADOQJRZ-NVNXTCNLSA-N 418.452 3.723 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768483 VIQYYNVGGJPFBV-SPLOXXLWSA-N 418.354 3.964 10 1 HHCF COc1cc(/C=C/c2nc3ccc(I)cc3[nH]2)cc(O)c1O 587784616 BJHKVUVSBGPNTR-GORDUTHDSA-N 408.195 3.758 10 1 HHCF Cc1nc2c(C(=O)N[C@@H](C)c3ccccc3)cnn2c(O)c1Cc1ccccc1F 82230263 CTLXYSNODJXTPV-AWEZNQCLSA-N 404.445 3.964 10 1 HHCF Cc1cc2c(c3oc(=O)c(C(C)(C)O)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473085973 ZMBWECQYMBWXPL-UHFFFAOYSA-N 406.434 3.891 10 1 HHCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(Cl)cc(Br)c2O)N1 962906210 XHKPSFJGXVRLSM-JSGCOSHPSA-N 400.631 3.636 10 1 HHCF COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2ccc(F)c(Cl)c12 587631678 HFKIWPMGVYOOKN-UHFFFAOYSA-N 416.836 3.820 10 1 HHCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587747960 SZFHQMVHKIHGBQ-BCTVWOGZSA-N 411.227 3.834 10 1 HHCF COC(=O)Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587808774 PEBDTCJBTTVXEJ-GIGQVBGESA-N 408.267 3.633 10 1 HHCF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(N2CCN(C)CC2)cc1Cl 963609397 NFHNOGJKCRKZQC-WNSKOXEYSA-N 415.965 3.733 10 1 HHCF CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587822718 QIRXGRZUVUEGGY-UGZDLDLSSA-N 408.267 4.000 10 1 HHCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CC2 84462544 KDOZTTLWZAFGNT-FQEVSTJZSA-N 413.949 3.588 10 1 HHCF CN(C)c1ccc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 45188787 CVJOGWXVANCDDS-FQEVSTJZSA-N 406.446 3.564 10 1 HHCF COC(=O)Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587808778 PEBDTCJBTTVXEJ-OVWNDWIMSA-N 408.267 3.633 10 1 HHCF Oc1ccc(-n2c(CCc3nnn[nH]3)ccc2-c2ccc(Br)cc2)cc1 68201296 IEENWOVTPMONIC-UHFFFAOYSA-N 410.275 3.911 10 1 HHCF C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 136573951 YSNMRNCOAQSEMA-LPZRJAJCSA-N 402.402 3.773 10 1 HHCF COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(O)c1O 587785271 JYURLXQNTADKMN-RMKNXTFCSA-N 412.401 3.929 10 1 HHCF Cc1cccc(N2CCN(CC(=O)N[C@@H]3CCc4c(C)cc(C)c(O)c43)CC2)c1C 26165476 UWVASGJTWZUXPX-OAQYLSRUSA-N 407.558 3.552 10 1 HHCF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1ccc(O)c(O)c1 587868108 URKOPBYBKDUXPR-UHFFFAOYSA-N 407.348 3.657 10 1 HHCF CC1(C)C[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2c(O)cc(O)cc2O1 962729106 GUTMOLXXBKMWPU-JLTOFOAXSA-N 407.388 3.548 10 1 HHCF CCc1ccc(O)c([C@]2(CCC(=O)O)NCCc3cc4cccc(OC)c4nc32)c1 963044743 CKXQXYQFEXFJLH-DEOSSOPVSA-N 406.482 3.766 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 169689761 SZFXIWSPFITWIU-QRUUQIEESA-N 403.500 3.511 10 1 HHCF O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc2c(c1)OCO2 790139 GGECTXZHMNAOBI-UHFFFAOYSA-N 422.422 3.851 10 1 HHCF COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cn1 587276059 IQALALOWIIYLOA-WTOJCKNJSA-N 405.414 3.788 10 1 HHCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O 14745821 RNYVURCHBQXPNS-UHFFFAOYSA-N 407.942 3.710 10 1 HHCF COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@@]21NCCc2ccc(O)cc21 963340850 IZBUIGCHPZVWPT-VWLOTQADSA-N 417.461 3.938 10 1 HHCF CC(=O)Oc1cccc2c1C(=O)c1c(ccc(Cc3ccccc3)c1OC(C)=O)C2=O 29343281 SLPLEXCGLUCKHQ-UHFFFAOYSA-N 414.413 3.903 10 1 HHCF [N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 27191977 VFQHMKRQVRHHLQ-UHFFFAOYSA-N 419.353 3.550 10 1 HHCF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356288562 HBEPVBRKVINNRM-OYRHQHFDSA-N 408.542 3.765 10 1 HHCF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587232259 VGVNXCPKRQPGJM-OALUTQOASA-N 408.502 3.974 10 1 HHCF CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc21 95601027 BGOFMMCRAMGKAI-UHFFFAOYSA-N 404.902 3.561 10 1 HHCF COCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772627090 HFLSHXNLCMEIHU-HRAATJIYSA-N 416.493 3.706 10 1 HHCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360898 QTZSHPPISSKZRV-VQIMIIECSA-N 420.333 3.763 10 1 HHCF CN1CCN(C2=NC(=O)/C(=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)S2)CC1 96174685 ISSUOQVUMCWRHB-JYRVWZFOSA-N 423.382 3.942 10 1 HHCF CC1(C)C[C@@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2c(O)cc(O)cc2O1 962729109 GUTMOLXXBKMWPU-VLIAUNLRSA-N 407.388 3.548 10 1 HHCF COc1cc(/C=C/c2cc3c(c(=O)o2)-c2cc(O)c(O)cc2[C@@H](OC)O3)ccc1O 40829201 UZQPGXYTBRUVFG-YXMLYAQVSA-N 410.378 3.640 10 1 HHCF C[C@H](CCCCCNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccc(O)c(O)c1 27729697 DZEFSBVJMODQSH-VGOFRKELSA-N 416.518 3.596 10 1 HHCF Oc1c([C@@H](c2nccn2Cc2ccccc2)N2CCOCC2)ccc2cccnc12 199238187 XWLSXECKVMROSP-QFIPXVFZSA-N 400.482 3.607 10 1 HHCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCO)c4ccccc34)[C@@H]21 1772623653 NIKXNKCULVCANR-XMMPIXPASA-N 419.525 3.577 10 1 HHCF CC=CC[C@@](C)(O)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356559500 IVVXCIFNKDZFST-XMMPIXPASA-N 404.418 3.756 10 1 HHCF Nc1ncc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cn1 587253666 CLWGCLFFCNSQKM-UHFFFAOYSA-N 417.428 4.045 10 1 HHCF CC(=O)C[C@H]1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 2356513146 UJLQHQYCNPJDFN-HXUWFJFHSA-N 422.389 3.712 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 587776662 XVDWFCKQAQGTHD-MPBGBICISA-N 421.310 3.754 10 1 HHCF CCN(C)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220079387 XGSUNCSUCLHLRA-UHFFFAOYSA-N 401.392 3.958 10 1 HHCF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 587586439 CFWIIEFEOOHJPO-MBSDFSHPSA-N 418.405 3.865 10 1 HHCF COc1cc(O)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962977356 OVGNZKYDBSPIFI-KZULUSFZSA-N 418.223 3.848 10 1 HHCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1Br 963609695 NVGUUZGXDKAMCD-APBUJDDRSA-N 408.292 3.804 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587744574 HCPKUKUQROGAKM-ANRSDYALSA-N 411.227 3.834 10 1 HHCF Cc1ccc(OCCn2c(/C=C3/C(=O)NC(=O)N=C3O)cc3ccccc32)cc1C 45335541 JITHNFUISAAZFM-UHFFFAOYSA-N 403.438 3.927 10 1 HHCF CN(C)CCCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2 95584098 FOBXSBZQRHITTL-UHFFFAOYSA-N 411.299 3.927 10 1 HHCF CCCc1c(O)ccc2c1O[C@@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587473319 RSRKSRROKYSKPT-GCJKJVERSA-N 415.490 3.749 10 1 HHCF CCc1ccccc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O 29130947 MKRYZWYODXUWEP-UHFFFAOYSA-N 422.462 3.597 10 1 HHCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C(=O)[C@@]21C 118924595 SEZLNRUVZLAGRP-BJBITYLUSA-N 404.547 3.865 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N3)O2 587399277 IAWXCCCYWFHOGL-HSDAMQNGSA-N 404.466 3.996 10 1 HHCF CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 102839965 GIEMGXFJMDURAZ-MPTQWLOMSA-N 403.500 3.654 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587748214 VVAJTVUCZROTDA-BCTVWOGZSA-N 409.211 3.638 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)cc1 142182739 YPLPBSZXYGWBMD-INIZCTEOSA-N 406.486 3.567 10 1 HHCF C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587519204 WQXFGVVOMYYUFU-RUZDIDTESA-N 407.510 3.984 10 1 HHCF Cc1c(O)ccc([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963191892 ZUJQYJUSTPJQSH-XIKOKIGWSA-N 415.795 3.941 10 1 HHCF COC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587803724 BQSWTLZSGWLRAN-OVWNDWIMSA-N 408.267 3.878 10 1 HHCF Cc1cc(F)cc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963134255 DJJOTYXIHIPMQW-ZIAGYGMSSA-N 408.451 3.632 10 1 HHCF CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 118214578 FYDDHURLODGYCI-UHFFFAOYSA-N 414.870 3.969 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587746072 IWVMVZSQKBJQSD-PWJLMRLQSA-N 411.227 3.834 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768102 STXRZMAFFPBRFA-QKKBWIMNSA-N 418.354 3.964 10 1 HHCF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O 587438587 HCAZNQBBOWBJRE-HRRATCIPSA-N 417.461 3.896 10 1 HHCF O=S(=O)(Nc1cn(C2CCCC2)cn1)c1cc(Br)cc(Cl)c1O 1911571148 RWBIWQQGKHMDCL-UHFFFAOYSA-N 420.716 3.921 10 1 HHCF CC1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2cc(Br)ccc2O)C1 653741236 VSYYCGAKRISVSY-HNNXBMFYSA-N 413.268 3.805 10 1 HHCF CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O 84689973 KRLUFPHVSFXHOK-NSHDSACASA-N 420.845 3.855 10 1 HHCF Cc1ccc(N(CC(=O)/N=N\c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c(C)c1 16284790 RUTILJIEWXVTQX-DQRAZIAOSA-N 400.460 3.567 10 1 HHCF CN1C[C@@H](c2ccccc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169402844 GTKCKHNVQYQHTP-BKMJKUGQSA-N 407.469 3.959 10 1 HHCF C[C@H]1C[C@]23OC(=O)[C@@]4(C)C(=O)C(=O)[C@H](C[C@H]42)[C@H](C)C[C@H](C)CCC[C@H]3C=C1C(=O)O 238750438 VYVUCONKFCPKEV-AEJDOVHQSA-N 416.514 3.576 10 1 HHCF O=C(O)c1cccc(-c2ccc(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)[nH]2)c1 73139144 CKAZKQSJBJRSLJ-ZHZULCJRSA-N 401.422 3.515 10 1 HHCF COc1cc(O)c2c(c1Br)C(=O)N1c3cc4c(nc3CO[C@@H]21)CCCC4 28951065 IFZASFRMJZIYNR-IBGZPJMESA-N 417.259 3.626 10 1 HHCF CN1CCN(Cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2O)CC1 587512423 DHXOUUQXTIFEGV-XMMPIXPASA-N 406.526 3.725 10 1 HHCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O 587739919 IMBCWTJEZPUQNK-JEOXALJRSA-N 423.326 3.988 10 1 HHCF Cc1cc(Cl)ccc1N(CC(=O)/N=N\c1c(O)[nH]c2ccccc12)S(C)(=O)=O 16282380 UZPHYIOOBYGWLR-DQRAZIAOSA-N 420.878 3.912 10 1 HHCF O=C(O)c1ccc(Nc2c3ccccc3nc3c(OC[C@@H](O)CO)cccc23)cc1 26940844 AHFXZEVTDLRPGC-INIZCTEOSA-N 404.422 3.562 10 1 HHCF CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3cccc(c23)C1=O 15962284 HFNYZYVPOXEIOV-DEDYPNTBSA-N 410.433 3.555 10 1 HHCF COc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1 49067665 ARCZYXVOPDKIEG-UHFFFAOYSA-N 400.416 3.721 10 1 HHCF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2n1 587275400 DEGCCVNROAPKOO-SNUQEOBHSA-N 405.414 3.788 10 1 HHCF CC(=O)C[C@@H]1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 2356513145 UJLQHQYCNPJDFN-FQEVSTJZSA-N 422.389 3.712 10 1 HHCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2Sc2ncccn2)cc1 28950838 IPWUTRJIJAHNGB-FQEVSTJZSA-N 409.467 3.959 10 1 HHCF O=C(O)[C@H](Cc1ccccc1)N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 72176674 GGLSUZDCCRHZJV-FQEQIMQSSA-N 411.461 3.607 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 5041708 MYCPMISCHRNPFC-HXMIXEEFSA-N 403.500 3.655 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275337 CCSYKUGQKRCWKD-SIFCLUCFSA-N 414.429 3.582 10 1 HHCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587743852 FOLHXYNSOFKKKF-ZKANADHPSA-N 411.227 3.834 10 1 HHCF CNC(=O)CCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 84669854 BJMKYDAEQDQCNJ-UHFFFAOYSA-N 422.553 3.636 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4845891 UVOIZGYJDKPXFY-BXTJHSDWSA-N 407.422 3.621 10 1 HHCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3c(O)cccc3Cl)CC2)C1=O 473110371 VRXFVZXMKGICQH-UHFFFAOYSA-N 407.942 3.710 10 1 HHCF O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 7002896 KNCDMYPIJKEMRK-LEWJYISDSA-N 407.397 3.802 10 1 HHCF CC(=O)OCc1cc2ccc3c(c2c(-c2ccc(O)c(O)c2)c1COC(C)=O)OCO3 96909445 HZCCHJMXPHOPIW-UHFFFAOYSA-N 424.405 3.773 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587740450 JZRSLBHTMABHLK-PRWKNARSSA-N 423.326 3.859 10 1 HHCF Cc1cc(C2=C[C@@H](c3ccc(N(C)C)cc3)N(C(=O)c3ccncc3)N2)ccc1O 103197749 KZQIEWPVZOVVQY-QFIPXVFZSA-N 400.482 3.904 10 1 HHCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O 587742827 UDUGRHAYRMDWSF-WYRIXSBYSA-N 423.326 3.988 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)O2 587399282 IAWXCCCYWFHOGL-RZIHXOQCSA-N 404.466 3.996 10 1 HHCF COc1cc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O 587808903 REJIHXMRXFNVEN-LZVRBXCZSA-N 424.266 3.747 10 1 HHCF COc1cccc2cc3c(nc12)[C@@H](c1cc(Br)c(O)cc1O)NCC3 963047349 NZOMJDSNFJAVNN-LJQANCHMSA-N 401.260 3.652 10 1 HHCF C[C@@H]1C(=O)c2c(c(C(C)(C)[C@@H](C)O)c3c(-c4ccccc4)cc(=O)oc3c2O)C1=O 2356416825 HFAYPAPFNRWYPI-NWDGAFQWSA-N 406.434 3.839 10 1 HHCF O=C(CN1CCN(Cc2ccccc2Cl)CC1)/N=N/c1c(O)[nH]c2ccccc12 101527059 JYMXQZPCLYVXNZ-OCOZRVBESA-N 411.893 3.955 10 1 HHCF CC(C)CN(Cc1ccc(N2CCC(O)CC2)cc1)S(=O)(=O)Cc1ccccc1 147279517 MMKGTEGHFOWROP-UHFFFAOYSA-N 416.587 3.636 10 1 HHCF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 587802568 MZEMDGKUSREPGJ-RLBGWGEZSA-N 420.282 3.982 10 1 HHCF O=C1c2ccccc2C(=O)c2c(NCCCCCO)ccc(NCCCCCO)c21 5117464 UKBIMTYONGBOME-UHFFFAOYSA-N 410.514 3.611 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)[C@@H]4CNC(=O)C4)cc3)C2)cc1 96173010 XKIQQBRLINSDAI-MJGOQNOKSA-N 422.525 3.552 10 1 HHCF O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccc(C(F)(F)F)cc1 1857747462 YOYDAKHIZOWKOF-UHFFFAOYSA-N 412.345 3.864 10 1 HHCF O=C1C[C@H](c2ccc(O)c(O)c2)c2c(C=Cc3ccc(O)c(O)c3)cc(O)cc2O1 2356413588 FZLVIDOBFARVQT-MRXNPFEDSA-N 406.390 3.826 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 88771454 UVOIZGYJDKPXFY-MDOVXXIYSA-N 407.422 3.621 10 1 HHCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O 587742826 UDUGRHAYRMDWSF-WLRWDXFRSA-N 423.326 3.988 10 1 HHCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(NC4CCC4)nc32)cc1 40410277 WSYLNXNDDMAEAV-UHFFFAOYSA-N 414.517 3.941 10 1 HHCF CC1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2cc(Br)ccc2O)C1 653741238 VSYYCGAKRISVSY-OAHLLOKOSA-N 413.268 3.805 10 1 HHCF CS(=O)(=O)c1ccc(-c2nc(NCc3ccc(N)cc3)cc(C(F)(F)F)n2)cc1 29131962 VCIQSIDGLSVXMZ-UHFFFAOYSA-N 422.432 3.760 10 1 HHCF O=C(CCc1ccccc1)OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 103235124 PCJVJTNTIXLPGR-UHFFFAOYSA-N 402.402 3.549 10 1 HHCF CC1=NN(S(=O)(=O)c2ccccc2C)[C@H](c2cc(Br)ccc2O)C1 653738892 LALFJNIKAXDVSW-HNNXBMFYSA-N 409.305 3.975 10 1 HHCF O=C(C(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2)c1ccc(O)cc1 13431883 ZHQNPYUTOBOVDN-LJQANCHMSA-N 406.390 3.641 10 1 HHCF biogenic CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)NC2=O)cc1 299835601 WVZGZZBIRAWSID-UZNZLNSGSA-N 408.552 3.893 10 1 HHCF CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 1857638512 QUZIKFDBDVRAMQ-ROSSNEFBSA-N 408.406 3.543 10 1 HHCF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356288561 HBEPVBRKVINNRM-LSQMVHIFSA-N 408.542 3.765 10 1 HHCF COc1cc2c(cc1O)CCN1[C@@H](Cc3ccc(O)cc3)c3cc(O)c(O)cc3C[C@H]21 14443936 YPWAKZWXYJJUFO-LEWJYISDSA-N 419.477 3.957 10 1 HHCF biogenic NC(=O)CCC(=O)Nc1cccc2c1C(=O)C(=O)c1c(-c3ccc(Cl)cc3)coc1-2 45287583 RRZCTGUTMVXHFF-UHFFFAOYSA-N 422.824 3.850 10 1 HHCF O=C(CNC(=O)c1cccs1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 101797780 VCICIXWIZXEQAQ-FMQUCBEESA-N 407.249 3.738 10 1 HHCF COc1ccc(/C=C2\SC(=S)N(Cc3nc4ccccc4[nH]3)C2=O)c(OC)c1 103194662 DEYSEFMIUBRYFR-MFOYZWKCSA-N 411.508 3.982 10 1 HHCF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@](C)(O)[C@@]2(C)C(=O)CCOC(=O)Cc2ccc(O)c(O)c2)C1 2356817180 DIKUSSDEPBGHAT-ZXCKWKJXSA-N 416.514 3.522 10 1 HHCF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1 29404047 MXDCJYSSPSKZGW-DMEQXSTQSA-N 400.435 3.805 10 1 HHCF CN(c1cccc(F)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 169700740 FSVAXGJNSLSHBN-UHFFFAOYSA-N 414.448 3.910 10 1 HHCF O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(C=Cc3ccc(O)c(O)c3)cc(O)cc2O1 2356413587 FZLVIDOBFARVQT-INIZCTEOSA-N 406.390 3.826 10 1 HHCF CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCCC2 13958884 GIEMGXFJMDURAZ-OJDYBEQGSA-N 403.500 3.654 10 1 HHCF Oc1cc2c(c(Br)c1O)-c1c(cc(Br)c(O)c1O)CC2 29042330 SSPNVSUGGPBPEK-UHFFFAOYSA-N 402.038 3.800 10 1 HHCF biogenic COc1ccccc1N1CCN(Cc2ccc(-c3ccc(F)cc3)n2CCO)CC1 29566700 FYHOYGUHSFBYTB-UHFFFAOYSA-N 409.505 3.617 10 1 HHCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@H]2[C@H]1O 2356372404 DNYUJRBZNAHXRM-SIUNPETNSA-N 410.466 3.840 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586948847 LZOITMDTVBLYJF-UHFFFAOYSA-N 416.684 3.723 10 1 HHCF CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 102839961 GIEMGXFJMDURAZ-BHTHQVBYSA-N 403.500 3.654 10 1 HHCF COc1ccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 20098609 AYJODHOGAZSOMY-OAQYLSRUSA-N 424.574 3.770 10 3 HHCF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 587802569 MZEMDGKUSREPGJ-WPCRTTGESA-N 420.282 3.982 10 1 HHCF COC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587803420 ALTREEAOLPSPJE-DGIBIBHMSA-N 408.267 3.878 10 1 HHCF CN(CCC1(c2ccccc2)C(=O)c2cc(Cl)c(Cl)cc2C1=O)CC(=O)O 28571172 ATNTWJIZJHPWSH-UHFFFAOYSA-N 406.265 3.717 10 1 HHCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)[C@@H]3OC(=O)C(C)C 13889785 RKOUZOCIIHIJRE-SPSFWMDKSA-N 406.434 3.933 10 1 HHCF biogenic CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC(OC)C4)cc3)C2)cc1 142186943 ZUPNFVKUOUEXRB-OYMFQORVSA-N 424.541 3.955 10 1 HHCF Oc1cc2c(c(Br)c1O)-c1c(cc(O)c(O)c1Br)CC2 13450074 SYHMQWZYWWUQBA-UHFFFAOYSA-N 402.038 3.800 10 1 HHCF biogenic O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 103287741 WRBDJPQHAWJMOG-DZGCQCFKSA-N 409.181 3.957 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587744772 FOXRRULDIMSLLV-PWJLMRLQSA-N 411.227 3.834 10 1 HHCF Cc1nc2c(C(=O)N(C)Cc3ccccc3)cnn2c(O)c1Cc1ccccc1F 9597707 NSHLOHHAJDXYKV-UHFFFAOYSA-N 404.445 3.745 10 1 HHCF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586945197 BFQLRYRKHIBHBQ-UHFFFAOYSA-N 412.471 3.555 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587741065 LPFFZZAIUDNEIK-GIPWTMENSA-N 423.326 3.859 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 102630728 SZFXIWSPFITWIU-GNZOJXKOSA-N 403.500 3.511 10 1 HHCF O=C1C[C@H](c2ccc(O)c(O)c2)c2c(/C=C/c3ccc(O)c(O)c3)cc(O)cc2O1 198806300 FZLVIDOBFARVQT-BCMPFUBYSA-N 406.390 3.826 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(C)c2)(c2ccccc2O)N1 587763793 MPRUUBCZLYMDJH-MPBGBICISA-N 416.294 3.853 10 1 HHCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccc(Cl)c3O)CC2)C1=O 473108243 LLFQFWZMZHMRHR-UHFFFAOYSA-N 407.942 3.710 10 1 HHCF COC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587803419 ALTREEAOLPSPJE-APBUJDDRSA-N 408.267 3.878 10 1 HHCF CCOc1cc(Br)cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1O 963021596 GWQSVDFPGKUSCI-JEOXALJRSA-N 417.303 3.696 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CCOC4)cc3)C2)cc1 1772624870 ZYLYHFYXEHVBQZ-NNPDTBDGSA-N 424.541 3.957 10 1 HHCF CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)NC2=O)cc1 299835602 WVZGZZBIRAWSID-ZJYZBMPFSA-N 408.552 3.893 10 1 HHCF COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 96285581 ZVSSTHGPTWJGCV-UHFFFAOYSA-N 417.513 3.699 10 1 HHCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587743845 FOLHXYNSOFKKKF-BCTVWOGZSA-N 411.227 3.834 10 1 HHCF O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 43012990 XXBBFGDBZZOHSX-NTUHNPAUSA-N 410.451 3.551 10 1 HHCF COc1c2n(C)ccc3c4cc(O)ccc4n4c3c-2c(c1=S(C)[O])C[C@@H]4NC(C)=O 2356812385 KJEATNDXTWITDW-OYGDXLDBSA-N 424.502 3.919 10 1 HHCF O=C(CNC(=O)Cc1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 101797246 LOSNTOQAZBMGRR-GHVJWSGMSA-N 415.247 3.605 10 1 HHCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c([C@H](C)N)c2)c(Cl)c1Cl 29346153 FORJKHSDYNXUIP-JTQLQIEISA-N 412.269 3.892 10 1 HHCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O 35013092 SAGMUMUSIBKNKJ-HXUWFJFHSA-N 402.410 3.995 10 1 HHCF CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1 95605075 VBYLRWCIAPQRFW-CQSZACIVSA-N 404.902 3.561 10 1 HHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cccn2)cc1 72125076 HYFPANSZAZXYKJ-UHFFFAOYSA-N 414.465 3.755 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587748505 XMIZGDGLTVPUCW-RBHXEPJQSA-N 411.227 3.705 10 1 HHCF C[C@H](CCCCCNC(=O)OCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 27729711 DZEFSBVJMODQSH-VGSWGCGISA-N 416.518 3.596 10 1 HHCF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c(OC)c1 1772644371 NDLAJCQFRPBLQO-SFHVURJKSA-N 407.495 3.957 10 1 HHCF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(N4CCOCC4)cc3)C[C@H]1C=N2 49803910 CLVFYHJBROPWFC-IBGZPJMESA-N 419.481 3.512 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)O2 587384812 JFFICWBVQKJOEB-JOCHJYFZSA-N 424.384 3.945 10 1 HHCF Cc1c([N+](=O)[O-])cc(/N=[N+](\[O-])c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 30730761 JZBHIQAXJAFHNP-NXVVXOECSA-N 406.267 3.862 10 1 HHCF in-vitro O=C1Nc2ncccc2/C1=C/c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 299823326 DLTBULUBRPLWFW-XLNRJJMWSA-N 410.477 3.537 10 1 HHCF Cc1c(O)ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963191890 ZUJQYJUSTPJQSH-SGTLLEGYSA-N 415.795 3.941 10 1 HHCF O=C(O)CN1C(=O)/C(=C/c2ccc3ccccc3c2Br)SC1=S 13782018 PDKGJWACKWSPEQ-GHXNOFRVSA-N 408.298 3.888 10 1 HHCF O=C(/C=C/c1ccc(O)c(O)c1)NCCNc1c2c(nc3ccccc13)CCCC2 95572947 NYPGWOUCPPWWJR-ZRDIBKRKSA-N 403.482 3.766 10 1 HHCF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(Cl)cc1)(c1ccc(O)cc1O)NCC2 962925217 QDPVIWUEFJJYQA-XMMPIXPASA-N 422.912 3.891 10 1 HHCF COC(=O)Cc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805477 HDTWRJJEQFCYBD-GIGQVBGESA-N 408.267 3.633 10 1 HHCF CCN1CCN(c2ccc([C@H]3CC(c4ccc(OC)cc4)=NN3C(C)=O)cc2)CC1 1857586844 IVLOBEPPBDRNDP-XMMPIXPASA-N 406.530 3.535 10 1 HHCF O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O 103264318 QZDNXDHEQFHCAA-BHEJFATLSA-N 413.426 3.994 10 1 HHCF CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587822716 QIRXGRZUVUEGGY-AYLIAGHASA-N 408.267 4.000 10 1 HHCF Cc1cc(F)cc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963134251 DJJOTYXIHIPMQW-UONOGXRCSA-N 408.451 3.632 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)cc2)N1 587767158 QRVFFQQNMMQODY-XCLFUZPHSA-N 404.327 3.621 10 1 HHCF O=C(N[C@H]1CCc2ccccc2C1)c1cc(NCc2cc(O)ccc2O)ccc1O 12352726 SYCMXLYZSYMXJR-IBGZPJMESA-N 404.466 3.703 10 1 HHCF CN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84668555 GTKCKHNVQYQHTP-GJZUVCINSA-N 407.469 3.959 10 1 HHCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO 95877374 OGBOBLIBRLCYJN-ZTCOLXNVSA-N 410.558 3.771 10 1 HHCF CCOC(=O)C(=O)c1cc(-c2ccccc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862757 AXTHOZVHQXIIDB-UHFFFAOYSA-N 411.479 3.602 10 1 HHCF COc1cc(/C=C\c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(O)c1O 587786299 SJTCEMSKXSILQC-IHWYPQMZSA-N 405.204 3.614 10 1 HHCF N=C(N)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 1857637545 LEYMDIOZOMLNOX-OWOJBTEDSA-N 420.948 3.771 10 1 HHCF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c(O)ccc3cccnc23)N1 962691898 DRBDVZKLNLVRSQ-KBXCAEBGSA-N 406.335 3.787 10 1 HHCF CCc1ccc2cc([C@H](c3ccc(O)c(O)c3)n3cc(CCN(C)C)nn3)oc2c1 1857635607 RTDQZVVHCNUGPV-QHCPKHFHSA-N 406.486 3.740 10 1 HHCF CN1OC[C@@H]2CN(C(=O)c3cccnc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 95569333 KHFIDECTXBVTPS-PMVMPFDFSA-N 406.530 3.521 10 3 HHCF CCCC[C@@H]1CC[C@@](CCc2cc(CNC)c(O)c(OC)c2)(OC(C)=O)C[C@@H]1O 2356777866 FYMRIADKJAOCIS-QMHWCDLVSA-N 407.551 3.706 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 587413494 RGGLHPQTBLBNFO-XUZZJYLKSA-N 417.417 3.552 10 1 HHCF C[C@](O)(CSc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28090709 QRNGZLXAQWWQRY-ZDUSSCGKSA-N 407.395 3.552 10 1 HHCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)[C@H]1CC[C@@H](F)CC1 169337553 HEUZFWKOIMVRPK-AWTKFZDXSA-N 418.417 3.625 10 1 HHCF Cc1ccc(N(CC(=O)N=Nc2c(O)[nH]c3ccccc23)S(C)(=O)=O)c(C)c1 253978855 RUTILJIEWXVTQX-UHFFFAOYSA-N 400.460 3.567 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587743975 FVRHCRRIDMCNCL-PWJLMRLQSA-N 409.211 3.638 10 1 HHCF Cc1c(O)ccc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963185121 KLQAMECFUDUXSJ-ABAIWWIYSA-N 401.768 3.767 10 1 HHCF Cc1ccc(N(C)C(=O)CCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27555120 RPZFDUHVVLVSMP-VGOFRKELSA-N 400.519 3.641 10 1 HHCF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587232261 VGVNXCPKRQPGJM-RTBURBONSA-N 408.502 3.974 10 1 HHCF Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 95592341 LNSVFPNEGUVNHH-UHFFFAOYSA-N 417.502 3.547 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(C)c2)(c2ccccc2O)N1 587765397 TUCIESAUVJIPQW-YUNKPMOVSA-N 416.294 3.853 10 1 HHCF CN1CCN(c2ccc([C@@H]3C=C(NCCN4CCCC4)c4ccccc4N3)cc2)CC1 101079209 LQSNPBRTWZPHNH-VWLOTQADSA-N 417.601 3.632 10 1 HHCF CCN1C(=O)N(C2CCCC2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O 473110127 VEJXGPLXKYYLFV-UHFFFAOYSA-N 405.926 3.607 10 1 HHCF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2n1 587275399 DEGCCVNROAPKOO-FHSNZYRGSA-N 405.414 3.788 10 1 HHCF NC(=O)CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841595 XTHSEDXNDYAATR-UHFFFAOYSA-N 420.494 3.749 10 1 HHCF COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1OC 40393322 AVADEHXJAFHFJA-FQEVSTJZSA-N 403.438 3.796 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587743222 CRLIKXAAKWTFHB-GLEZIHRCSA-N 411.227 3.834 10 1 HHCF CN1C=CC(=CN=NC(=O)c2cccc(C(=O)N=NC=C3C=CN(C)C=C3)n2)C=C1 1857543709 MPVGCBNWLMQWLC-UHFFFAOYSA-N 401.430 3.980 10 1 HHCF O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCc2cc(O)c(O)c(O)c2)s1 40576980 KBSJBLIFCLOXMF-UHFFFAOYSA-N 413.451 3.730 10 1 HHCF COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1Cl 2067846 RXXQBXWGFJOTHD-AUWJEWJLSA-N 409.872 3.894 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)C2)c(C)c1 299868497 RNYCZGJCHSEZAE-KRWDZBQOSA-N 420.513 3.875 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587761584 QDJOEMFZIGULNA-WYRIXSBYSA-N 419.294 3.733 10 1 HHCF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(Br)c(O)cc2O)N1)C(F)(F)F 962732135 XDRCUCKNZMKTIT-SWLSCSKDSA-N 416.193 3.595 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587743224 CRLIKXAAKWTFHB-VXJOIVPMSA-N 411.227 3.834 10 1 HHCF CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587822719 QIRXGRZUVUEGGY-ZRNGKTOUSA-N 408.267 4.000 10 1 HHCF COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2c1 587785563 NPNKSTYTTDYRRS-ONEGZZNKSA-N 419.231 3.702 10 1 HHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCCN(C)C)CCCC(C)(C)[C@@H]1CC2=O 1857535316 ORPMRNMAEWVEBB-MHECFPHRSA-N 416.562 3.550 10 1 HHCF CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCCC2)c1 40565078 LOWHMMFFCFETHX-UHFFFAOYSA-N 406.486 3.972 10 1 HHCF O=C(NCc1ccc(O)c(O)c1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 103234429 ONRKKUHPJMWLOR-UHFFFAOYSA-N 409.482 3.907 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)O2 587384814 JFFICWBVQKJOEB-QFIPXVFZSA-N 424.384 3.945 10 1 HHCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NCCO)c1 27212247 YVQAPVVKNRCDRE-UHFFFAOYSA-N 422.510 3.907 10 1 HHCF Nc1ccc(CN2CCN(CCC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1 1857563397 FOVDMDHLKXLYCH-UHFFFAOYSA-N 421.570 3.539 10 1 HHCF O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 7002893 KNCDMYPIJKEMRK-RTWAWAEBSA-N 407.397 3.802 10 1 HHCF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(CN(C)C)c1O 587574820 ZAKHILANSCQVLD-GBXCKJPGSA-N 421.449 3.871 10 1 HHCF CCc1ccc2nc([C@@H](c3ccc(O)c(O)c3)n3cc(CCN(C)C)nn3)sc2c1 1857632596 YNAVOVQGVNIQFT-OAQYLSRUSA-N 423.542 3.603 10 1 HHCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(CN3CCN(C)CC3)c1)CC2=O 587473623 AEJUDXNMWNGPRG-HSZRJFAPSA-N 410.514 3.504 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2O)N1 587776663 XVDWFCKQAQGTHD-ODXCJYRJSA-N 421.310 3.754 10 1 HHCF Cc1cc2c(O)nc(CSC(=S)NCc3ccc4c(c3)OCO4)nc2s1 1857644253 HHVSPEPPPXFANS-UHFFFAOYSA-N 405.526 3.742 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(C)c2)(c2ccccc2O)N1 587765395 TUCIESAUVJIPQW-ODXCJYRJSA-N 416.294 3.853 10 1 HHCF Cc1c(CC(=O)NC2CCCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1 1857553365 OTWSBIIMQVRWDE-UHFFFAOYSA-N 417.981 3.927 10 1 HHCF CCN(CC)CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32 5733927 FJTRWOCLVDJXLU-UHFFFAOYSA-N 409.490 3.660 10 1 HHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCCN(C)C)CCCC(C)(C)[C@@H]1CC2 1857567436 ZJXTVPUIIHKZBM-MHECFPHRSA-N 402.579 3.909 10 1 HHCF COc1cccc(-n2nnc(-c3ccccc3NC(=O)Nc3ccc(N)cc3)n2)c1 1772630545 CZJIJLRMBISFOT-UHFFFAOYSA-N 401.430 3.564 10 1 HHCF CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)[C@H](C)O 95605588 FKSQALHWIWYQJQ-SWLSCSKDSA-N 418.929 3.950 10 1 HHCF CS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1C(=O)c1ccccc1 169341363 RCSISBDSVNCZEJ-UHFFFAOYSA-N 409.463 3.631 10 1 HHCF O=S(=O)(Nc1cnn(C2CCCC2)c1)c1cc(Br)cc(Cl)c1O 1911573334 RHSXBKMORBGXGZ-UHFFFAOYSA-N 420.716 3.921 10 1 HHCF CCc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 114600783 QZBPBRSWGHHNKJ-UHFFFAOYSA-N 422.462 3.597 10 1 HHCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OCCO)c1 26849221 SIHRZECBNKTYOJ-UHFFFAOYSA-N 423.494 3.874 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 169300327 UVOIZGYJDKPXFY-SIFCLUCFSA-N 407.422 3.621 10 1 HHCF CCCCSc1cc(I)cc(CNCCCN(C)C)c1O 28237394 GJVXBHDCSTUPBX-UHFFFAOYSA-N 422.376 3.930 10 1 HHCF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587232260 VGVNXCPKRQPGJM-RBUKOAKNSA-N 408.502 3.974 10 1 HHCF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(C(F)(F)F)cc3)c21 71329504 QJLHGRJJKXXGCA-UHFFFAOYSA-N 409.323 3.921 10 1 HHCF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 49112210 HSIYFXMABRMEST-UHFFFAOYSA-N 415.387 3.621 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 587766907 OWHVTRNUMNPEEW-SPLOXXLWSA-N 418.354 3.796 10 1 HHCF CN(C)c1ccc([C@]2(c3ccccc3)NC(=N)N(CCCc3ccccc3)C2=O)cc1 45190079 GFVHLUREMJMSKN-SANMLTNESA-N 412.537 3.996 10 1 HHCF Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 95590011 IGGOOAHZHNRLIS-UHFFFAOYSA-N 417.502 3.547 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 586948929 NELPJPYWRJJGFQ-UHFFFAOYSA-N 416.684 3.723 10 1 HHCF O=c1nc(CSC(=S)NCc2ccc(Br)cc2)[nH]c2ccccc12 209479593 WXIKIWXWAVSSCS-UHFFFAOYSA-N 420.357 3.994 10 1 HHCF Oc1cccc(O)c1C1(c2c(O)cccc2O)c2c(F)cccc2C[C@@H]2CCCN21 963092061 JUZLWOQIKMXDSL-HNNXBMFYSA-N 407.441 3.961 10 1 HHCF Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1C 29130954 KKWWXCGTSPOABZ-UHFFFAOYSA-N 422.462 3.651 10 1 HHCF CCCn1c(O)c(N=NC(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21 253960864 AMYRUXAJQVBFNJ-UHFFFAOYSA-N 408.458 3.735 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@@H]1CC=C[C@H]21 587277217 QTEXHSKHGHJRPA-CWSCBRNRSA-N 412.500 3.973 10 1 HHCF Cc1[nH]c2ccccc2c1CCNC(=O)CNCc1cc(Cl)c2cccnc2c1O 1857607020 XBMNAPLQKUXPLE-UHFFFAOYSA-N 422.916 3.832 10 1 HHCF O=C(c1cccc(-n2cccn2)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295671 TWIBJRRRYBAZFC-JOCHJYFZSA-N 409.449 3.964 10 1 HHCF CCOc1ccccc1/N=N/[C@@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2C)N=C1C 102945736 BQJLMWGWNBUCGP-PWKIUMOWSA-N 421.457 3.620 10 1 HHCF CCOc1ccc(CN2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 22851642 JKQVBWWTMZSCHW-HSZRJFAPSA-N 409.574 3.881 10 3 HHCF COc1cccc2cc3c(nc12)[C@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)NCC3 963067714 OEQCOTKUSORZKP-QFIPXVFZSA-N 402.458 3.901 10 1 HHCF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586949434 VJJMFTBGKWRLDR-UHFFFAOYSA-N 408.483 3.900 10 1 HHCF COc1cc(CCC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCC2)ccc1O 85626302 GAMFINWPKFZKCJ-IBGZPJMESA-N 414.498 3.967 10 1 HHCF biogenic,in-vitro Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 49035665 JMTBTFOBSHXVLF-UHFFFAOYSA-N 415.387 3.621 10 1 HHCF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1c(O)ccc(Cl)c1F 963189707 MAVGMUGGLGIIEF-FQEVSTJZSA-N 407.869 3.943 10 1 HHCF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356822032 FRIRHJVKXFYECW-VHIDZCHYSA-N 404.547 3.865 10 1 HHCF O=[N+]([O-])c1cc(C(F)(F)F)ccc1O/N=[N+](\[O-])N1CCN(c2ccccc2)CC1 38990796 CHMVLSYYEWAPRZ-DAFNUICNSA-N 411.340 3.607 10 1 HHCF O=C1c2ccc(O)cc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911582907 JFBJXYCCCLAFEF-UHFFFAOYSA-N 421.334 3.833 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587741070 LPFFZZAIUDNEIK-YBTHPKLGSA-N 423.326 3.859 10 1 HHCF COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc(Cl)c(F)cc12 587631947 NGVLCKYIJRCLAL-UHFFFAOYSA-N 416.836 3.820 10 1 HHCF COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cn1 587276055 IQALALOWIIYLOA-QHRIQVFBSA-N 405.414 3.788 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 138256575 UVOIZGYJDKPXFY-AVYPCKFXSA-N 407.422 3.621 10 1 HHCF CCN1CCN(Cc2cc(-c3ccc([C@H](C)C(=O)OC)cc3F)ccc2O)CC1 1857542697 SMZNUBJTOWZJDQ-INIZCTEOSA-N 400.494 3.612 10 1 HHCF Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c(C)c1 101687304 RUTILJIEWXVTQX-QURGRASLSA-N 400.460 3.567 10 1 HHCF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962729073 GKCVPIUZZDAYAA-DYESRHJHSA-N 421.415 3.709 10 1 HHCF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 40836419 MLAWLJSNDKWVAB-VHIPRFKOSA-N 403.519 3.574 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 587413493 RGGLHPQTBLBNFO-URXFXBBRSA-N 417.417 3.552 10 1 HHCF COC(=O)c1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807246 LOOKXMBYELZSNN-APBUJDDRSA-N 408.267 3.878 10 1 HHCF CC1(C)C[C@@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2c(O)cc(O)cc2O1 962729111 GUTMOLXXBKMWPU-XOBRGWDASA-N 407.388 3.548 10 1 HHCF O=C(O)c1ccc(Nc2c3ccccc3nc3c(OC[C@H](O)CO)cccc23)cc1 26940838 AHFXZEVTDLRPGC-MRXNPFEDSA-N 404.422 3.562 10 1 HHCF COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc2ccccc2c1C3=O 27193972 VELMJKOMKQJFCZ-UHFFFAOYSA-N 414.461 3.732 10 1 HHCF CN1c2ccccc2C(=O)N2[C@H](C(=O)N3CCCCC3)Cc3c([nH]c4ccccc34)[C@@H]12 96940373 RNBJAHDBFJVDSC-GMAHTHKFSA-N 414.509 3.696 10 1 HHCF C[C@@H]1Oc2cc(O)c3c(=O)c4c(CCC(C)(C)O)c(O)c(O)cc4oc3c2C1(C)C 13411987 COFHDEMXIJDAST-JTQLQIEISA-N 414.454 3.825 10 1 HHCF biogenic O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)c1cccc(F)c1 40937656 CGXMXGZLUZSDDD-UHFFFAOYSA-N 424.450 3.566 10 1 HHCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 169337557 UPUMQRFCXLMFNH-NHCUHLMSSA-N 400.427 3.677 10 1 HHCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O 587807793 NLEGFURYGJHOPS-VXJOIVPMSA-N 412.255 3.640 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1C[C@@H](C)CC2 169689775 DRIVUZOCVWJTKJ-NTFKUYOJSA-N 403.500 3.511 10 1 HHCF CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCCC2 13958888 GIEMGXFJMDURAZ-VZAMPYOESA-N 403.500 3.654 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2O)N1 587777122 ZHLCHAWUPCCQPW-ODXCJYRJSA-N 421.310 3.754 10 1 HHCF CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cc(Br)ccc2O)C1 653718520 USERALAFIAURBX-INIZCTEOSA-N 409.305 3.975 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587761583 QDJOEMFZIGULNA-WLRWDXFRSA-N 419.294 3.733 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 101788882 AVSFNVCPZFZDDL-YAKIMEMVSA-N 417.527 3.901 10 1 HHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)s1 72122890 DHTITIACUXSKKV-UHFFFAOYSA-N 420.494 3.816 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@H]1CC=C[C@@H]21 587277400 VJAUKTKFURUCHO-BHVCSQLQSA-N 417.425 3.937 10 1 HHCF O=C1Nc2cc(N3CCOCC3)ccc2[C@@]12NCCc1cccc(-c3ccccc3)c12 962670243 QJLONXZFJYLHLQ-SANMLTNESA-N 411.505 3.532 10 1 HHCF CCOCc1c(Br)c(O)c(O)c(Br)c1Br 138792875 FBRPRIXMCNIMRM-UHFFFAOYSA-N 404.880 3.922 10 1 HHCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCCc1ccccc1 26505088 HDHDBQDUUFUSCP-UHFFFAOYSA-N 422.569 3.912 10 1 HHCF COC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(=N)C=C3O)c2nc3ccccc3c-2c1C 101033391 XRCXVGNLBLGWBQ-UHFFFAOYSA-N 412.405 3.940 10 1 HHCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc(OC)c(OC)cc12 28711267 VTFXWANSFWRZBM-UHFFFAOYSA-N 420.425 3.939 10 1 HHCF CCOc1cc(Br)cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1O 963021600 GWQSVDFPGKUSCI-WLRWDXFRSA-N 417.303 3.696 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 13153204 MYCPMISCHRNPFC-FODKEYSVSA-N 403.500 3.655 10 1 HHCF COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)cc3n2CCN(C)C)c1 73195673 KXBDDGKXLZBLOM-UHFFFAOYSA-N 417.513 3.532 10 1 HHCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(Cl)cc2)c1=O 261136247 MCIMOPGPVOOBKZ-UHFFFAOYSA-N 402.823 3.912 10 1 HHCF COC(=O)c1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812477 ZLXIQPVYZVRMGJ-OVWNDWIMSA-N 408.267 3.878 10 1 HHCF Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccccc2)c2cc(Br)ccc21 102526513 BTVQHCPVHBBQLN-DQRAZIAOSA-N 415.247 3.687 10 1 HHCF Nc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 40556708 BWLLTRKWOIOSFN-FGZHOGPDSA-N 413.905 3.942 10 1 HHCF COc1cc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O 587808905 REJIHXMRXFNVEN-YYSFKGJASA-N 424.266 3.747 10 1 HHCF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 587802330 LEDSRCCRJWZQEY-YLVJLNSGSA-N 420.282 3.982 10 1 HHCF Nc1ccc(Oc2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 586920174 NMINAPUOFWOOKF-UHFFFAOYSA-N 424.438 3.820 10 1 HHCF COC(=O)Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587808767 PEBDTCJBTTVXEJ-APBUJDDRSA-N 408.267 3.633 10 1 HHCF COc1c(O)c(Cc2ccccc2)c2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 40915992 RMFPZCLZVGLSAF-UHFFFAOYSA-N 406.390 3.882 10 1 HHCF O=C(NCCCCN1CCCCC1)c1ccc2nnc3c(c2c1)C(=O)c1ccccc1-3 1772606705 ABNUEGOTSRPITG-UHFFFAOYSA-N 414.509 3.837 10 1 HHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 962961786 HCSKAXJSERUYLJ-HZMBPMFUSA-N 419.167 3.574 10 1 HHCF O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 7002891 KNCDMYPIJKEMRK-SFTDATJTSA-N 407.397 3.802 10 1 HHCF Cc1cc(I)cc(CNc2ccc(N3CCOCC3)cc2)c1O 9489989 GPPBKHVWTYYMFF-UHFFFAOYSA-N 424.282 3.754 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1C[C@H](C)CC2 195484407 DRIVUZOCVWJTKJ-ZQGUGBBBSA-N 403.500 3.511 10 1 HHCF CCCC[C@@H]1CC[C@](CCc2cc(CNC)c(O)c(OC)c2)(OC(C)=O)C[C@@H]1O 2356777867 FYMRIADKJAOCIS-RFWXGWTQSA-N 407.551 3.706 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 5041709 MYCPMISCHRNPFC-AYJQFZSMSA-N 403.500 3.655 10 1 HHCF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(CN3CCN(C)CC3)c1)CC2=O 587473624 AEJUDXNMWNGPRG-QHCPKHFHSA-N 410.514 3.504 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CN3CCN(c4ccccc4)CC3)nc21 95589507 HHMSOYVLYHYVEY-UHFFFAOYSA-N 422.488 3.661 10 1 HHCF COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@]21NCCc2ccc(O)cc21 963340849 IZBUIGCHPZVWPT-RUZDIDTESA-N 417.461 3.938 10 1 HHCF CCOc1ccc2nc(Cl)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2c1 1772647781 OFFHLRXWZUQGFL-ZROIWOOFSA-N 422.915 3.963 10 1 HHCF Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 1857626832 DQEDMBUQJNJGRF-UHFFFAOYSA-N 416.389 3.620 10 1 HHCF COc1cccc2c(NCCC[N+](C)(C)[O-])c3c([N+](=O)[O-])ccc(OC)c3nc12 26506077 IDDJEJMLQRSJFP-UHFFFAOYSA-N 400.435 3.690 10 1 HHCF COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(N)cc2)cc1 72124960 OKIDSXIGXIRHTK-UHFFFAOYSA-N 406.467 3.797 10 1 HHCF NS(=O)(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587081479 XIKTUNDIRFWHGR-JKDFXYPNSA-N 400.891 3.690 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587759172 FBWFYHICZVYXOW-JEOXALJRSA-N 419.294 3.733 10 1 HHCF COc1ccc(Nc2ncnc3c2[C@H](c2ccc(O)c(O)c2)c2c(n[nH]c2C)O3)cc1 1772623717 SRKUBRUYOHRUAH-GOSISDBHSA-N 417.425 3.957 10 1 HHCF CO[C@@H](C[C@H](C)CN=[N+]=[N-])[C@H](OC)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 1772579585 HDEOYMZCLCJPKZ-CSQLCUNESA-N 418.494 3.579 10 1 HHCF Oc1cc(COCc2cc(O)c(O)c(Br)c2)cc(Br)c1O 2356794875 IDNZNOBMMFDOKG-UHFFFAOYSA-N 420.053 3.751 10 1 HHCF COc1cc(/C=C\c2nc3cccc(I)c3[nH]2)cc(O)c1O 587785274 JZGDQAKSRIGUJD-WAYWQWQTSA-N 408.195 3.758 10 1 HHCF CC(C)c1ccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 169692359 IBGSISOOCZHDOO-WNAAXNPUSA-N 410.522 3.557 10 1 HHCF NC(=O)O[C@H](CCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 95574399 RDLBFGMNNGBDRR-LJQANCHMSA-N 423.435 3.934 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587741068 LPFFZZAIUDNEIK-PRWKNARSSA-N 423.326 3.859 10 1 HHCF C[C@@H]1C(=O)c2c(c(C(C)(C)[C@H](C)O)c3c(-c4ccccc4)cc(=O)oc3c2O)C1=O 2356416826 HFAYPAPFNRWYPI-RYUDHWBXSA-N 406.434 3.839 10 1 HHCF C1=CC=C2NCCSCC/N=C3\C=CC=CC=C3NCCSCC/N=C\2C=C1 104310812 RGLZGXHYJBKLCU-FXYBLIFYSA-N 412.628 3.547 10 1 HHCF C[C@H]1C[C@H](C)CCC[C@@H]2C=C(C(=O)O)[C@H](C)C[C@]23OC(=O)[C@]2(C)C(=O)C(=O)[C@H]1C[C@@H]23 2356392251 VYVUCONKFCPKEV-CFRIPURASA-N 416.514 3.576 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587744003 FVRHCRRIDMCNCL-ZKANADHPSA-N 409.211 3.638 10 1 HHCF CCOP(=O)(CCCCCCn1nnc2c1C(=O)c1ccccc1C2=O)OCC 1857650473 OIQRWDZDJMQYGC-UHFFFAOYSA-N 419.418 3.880 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587746070 IWVMVZSQKBJQSD-BCTVWOGZSA-N 411.227 3.834 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3c(F)cc(OC4CC4)cc3F)C2)cc1 142310911 DODKMCHHKMEXES-ZDUSSCGKSA-N 402.441 3.971 10 1 HHCF O=C(Nc1ccnnc1)c1cc(N2CCC(CO)CC2)ccc1OCc1ccccc1 1857608799 KEXNTDQOVSKRJI-UHFFFAOYSA-N 418.497 3.517 10 1 HHCF CCOc1cc(Br)cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1O 963021598 GWQSVDFPGKUSCI-NSPYISDASA-N 417.303 3.696 10 1 HHCF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(Br)c(O)cc2O)N1)C(F)(F)F 962732133 XDRCUCKNZMKTIT-DOMZBBRYSA-N 416.193 3.595 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)O2 587409365 RRGCWVBWFFJLSX-XMMPIXPASA-N 417.417 3.988 10 1 HHCF COc1ccc(C[C@@]2(c3ccc(OC)cc3O)NCCc3c2c(C(C)C)nn3C)cc1 962915549 AJRBWVSWPKWWCI-VWLOTQADSA-N 421.541 3.898 10 1 HHCF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccc(O)c1O 653840636 TUXFSMSBKZGCDQ-FNQPIQQGSA-N 408.406 3.543 10 1 HHCF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 587802570 MZEMDGKUSREPGJ-YLVJLNSGSA-N 420.282 3.982 10 1 HHCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360896 QTZSHPPISSKZRV-LPHOPBHVSA-N 420.333 3.763 10 1 HHCF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@](C)(O)[C@]2(C)C(=O)CCOC(=O)Cc2ccc(O)c(O)c2)C1 2356817177 DIKUSSDEPBGHAT-MEWIHZEBSA-N 416.514 3.522 10 1 HHCF Cc1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)CN=[N+]=[N-])cc1 40933105 DXHLJIBOHVIPMG-HNNXBMFYSA-N 411.528 3.647 10 1 HHCF CN(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1)c1ccccc1F 169700748 SMDRCKJLYKVNQP-UHFFFAOYSA-N 414.448 3.910 10 1 HHCF COc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@H](c3cc(Cl)ccc3O)C2)cc1 299868597 RWSJCMXLSFELTC-IBGZPJMESA-N 410.861 3.629 10 1 HHCF Cn1cc2c3c(cnc(O)c31)-c1cc(CS(C)(=O)=O)ccc1N(c1ccccn1)C2 1857754910 AUJSICQRNVBQDS-UHFFFAOYSA-N 420.494 3.537 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)O2 587399280 IAWXCCCYWFHOGL-OGLZGLIOSA-N 404.466 3.996 10 1 HHCF O=c1oc2c3c4c(cc(O)cc4oc4c(O)c(O)cc1c43)O[C@@H]2c1ccc(O)c(O)c1 2356814580 CJIFHJVFDLLFLE-LJQANCHMSA-N 420.329 3.702 10 1 HHCF Cc1cc(C)c(C(=O)OC[C@]2(CO)C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c(C)c1 40864535 RRLDMIXAFYGGJG-OMWANQMDSA-N 423.509 3.596 10 1 HHCF O=C(Oc1ccc(Cl)cc1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 49072131 KDAATDOZUWDOMA-UHFFFAOYSA-N 416.769 3.601 10 1 HHCF COc1c(O)c(CNCCc2ccc(O)cc2)c2c3c1-c1ccccc1C[C@H]3NCC2 238753044 CHZSTUAZLIMBLJ-JOCHJYFZSA-N 416.521 3.849 10 1 HHCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@@H]2[C@H]1O 2356372405 DNYUJRBZNAHXRM-WBNPSLLBSA-N 410.466 3.840 10 1 HHCF CC(C)(C)OC(=O)N1CCN(C2(c3ccccc3)C(=O)c3ccccc3C2=O)CC1 20178066 KTNBFUMZTBAOGJ-UHFFFAOYSA-N 406.482 3.514 10 1 HHCF COc1ccc(OC)c([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)c1 1772617060 UYCPBPPHOQMIPK-NRFANRHFSA-N 403.438 3.796 10 1 HHCF COc1cccc(-c2cccc3c2Cc2c-3n(CCCN(C)C)c(=O)c3nccn23)c1 299863911 QFDYCLBZJZFZGZ-UHFFFAOYSA-N 414.509 3.695 10 1 HHCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 253978769 CRIHUYVWIVZTEH-UHFFFAOYSA-N 412.471 3.972 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@H]1CC=C[C@H]21 587277218 QTEXHSKHGHJRPA-KWBADKCTSA-N 412.500 3.973 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587744210 GJBFJVDWGCSTED-RBHXEPJQSA-N 411.227 3.705 10 1 HHCF COCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149640961 NOEBSSAOCIGUEH-SFHVURJKSA-N 408.542 3.773 10 1 HHCF O=C(O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 13537313 UNJDPHHTZSCHND-QUCCMNQESA-N 412.369 3.550 10 1 HHCF O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O 588889 DEMLSVZSARFJOQ-NRFANRHFSA-N 406.438 3.745 10 1 HHCF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587747962 SZFHQMVHKIHGBQ-VPTHRUTESA-N 411.227 3.834 10 1 HHCF COc1cccc2c1ccc1nc3cc(Cl)cc(C(=O)NCCN(C)C)c3nc12 27867782 VGYRBEGABNYLTQ-UHFFFAOYSA-N 408.889 3.890 10 1 HHCF O=C(c1cc2cc(O)ccc2[nH]1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 1149503003 DZTLMHZPDFJUAT-UHFFFAOYSA-N 405.376 3.735 10 1 HHCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(NC4CC4)nc32)cc1 40919213 MYNOLDVDWDQTRC-UHFFFAOYSA-N 400.490 3.551 10 1 HHCF Cc1ccc(N(C)C(=O)CCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27555121 RPZFDUHVVLVSMP-JTSKRJEESA-N 400.519 3.641 10 1 HHCF Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1 29130659 NFZXNYFVYMPUCW-UHFFFAOYSA-N 413.478 3.709 10 1 HHCF O=S(=O)(Nc1cc(Sc2cn[nH]n2)c(O)c2ccccc12)c1cccs1 84733546 OANJUWFWDZRXNU-UHFFFAOYSA-N 404.498 3.677 10 1 HHCF Cc1cc(C(=N)/N=N\NCC(N)=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 149311155 NMBQIBDFYWOMTB-UHFFFAOYSA-N 406.421 3.756 10 1 HHCF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 587802328 LEDSRCCRJWZQEY-RLBGWGEZSA-N 420.282 3.982 10 1 HHCF Cc1cccc(N(CC(=O)/N=N\c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c1C 16349954 AKNJJGCUPRKGPH-DQRAZIAOSA-N 400.460 3.567 10 1 HHCF CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587824282 ZINNMIDOKNEOGW-ZRNGKTOUSA-N 408.267 4.000 10 1 HHCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2CCc2ccc(C(F)(F)F)cc2)cc1 1857585465 RIOVJNYKFMKQEL-WIYYLYMNSA-N 419.491 3.856 10 1 HHCF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N3CCOCC3)cc2)cc1OC 169723247 FIIYMSJRMWAXQB-ZNTNEXAZSA-N 409.446 3.639 10 1 HHCF Cc1c(O)ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963185131 KLQAMECFUDUXSJ-XHDPSFHLSA-N 401.768 3.767 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587748503 XMIZGDGLTVPUCW-QPFGOUBPSA-N 411.227 3.705 10 1 HHCF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 13120310 CRIHUYVWIVZTEH-FCQUAONHSA-N 412.471 3.972 10 1 HHCF O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 169337547 UPUMQRFCXLMFNH-LEWJYISDSA-N 400.427 3.677 10 1 HHCF O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1cccnc1 40762359 LRPFJONZGLTTCP-AUWJEWJLSA-N 407.314 3.912 10 1 HHCF CC(=O)c1ccc(NCC(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 143503999 FMEPDPFZULWVFP-UHFFFAOYSA-N 421.419 3.549 10 1 HHCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587747963 SZFHQMVHKIHGBQ-ZKANADHPSA-N 411.227 3.834 10 1 HHCF COc1cc(OC)cc(-c2c(O)cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)c1 1772630620 IFAOKANVCIAVBC-UHFFFAOYSA-N 406.390 3.571 10 1 HHCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2Sc2ncccn2)cc1 28950840 IPWUTRJIJAHNGB-HXUWFJFHSA-N 409.467 3.959 10 1 HHCF Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)COc3ccccc3)NC2=O)cc1 64503852 GDYXWNOOZVFXAT-CJLVFECKSA-N 411.461 3.735 10 1 HHCF O=C(/C=C/c1ccccc1)OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 103235128 HLOQRMGUBNDJOS-MDZDMXLPSA-N 400.386 3.630 10 1 HHCF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356822031 FRIRHJVKXFYECW-KTFZIBRRSA-N 404.547 3.865 10 1 HHCF CCOC(=O)Cc1oc2c(c1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1C2=O 1857744970 DLWAFXMFYGUJTP-UHFFFAOYSA-N 420.417 3.845 10 1 HHCF O=C(CNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 18043974 YIIXRAGHLUGBCW-QURGRASLSA-N 401.220 3.676 10 1 HHCF O=C(O)Cc1cccc(-c2ccccc2NC(=O)CCc2cc(O)c(O)c(O)c2)c1 35274444 OCFGEGWZWWXZQQ-UHFFFAOYSA-N 407.422 3.669 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 101537610 MYCPMISCHRNPFC-QOPYNNCTSA-N 403.500 3.655 10 1 HHCF CC(C)CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1 224299494 YWZUJZQGDDOLAO-UHFFFAOYSA-N 402.560 3.511 10 1 HHCF CS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3cc([N+](=O)[O-])ccc23)cc1 26848544 OIWXGBFKWPMADM-UHFFFAOYSA-N 423.454 3.994 10 1 HHCF CN(C)c1ccc([C@@]2(c3ccccc3)NC(=N)N(CCCc3ccccc3)C2=O)cc1 45190076 GFVHLUREMJMSKN-AREMUKBSSA-N 412.537 3.996 10 1 HHCF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2n1 587275402 DEGCCVNROAPKOO-ZJNRKIDTSA-N 405.414 3.788 10 1 HHCF O=C1c2ccccc2C(=O)c2c1c1ccccc1c(=O)n2Cc1ccc([N+](=O)[O-])cc1 299827726 HLCGNJMVBFBHIV-UHFFFAOYSA-N 410.385 3.733 10 1 HHCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O 587739921 IMBCWTJEZPUQNK-WLRWDXFRSA-N 423.326 3.988 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)[C@H]4CCOC4)cc3)C2)cc1 142346564 ZKULDYCRSZZELE-HKUYNNGSSA-N 410.514 3.567 10 1 HHCF O=C(CN1CCN(Cc2ccccc2Cl)CC1)N=Nc1c(O)[nH]c2ccccc12 254010559 JYMXQZPCLYVXNZ-UHFFFAOYSA-N 411.893 3.955 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3)O2 587399286 IAWXCCCYWFHOGL-SQPUEENRSA-N 404.466 3.996 10 1 HHCF COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 73258243 MJHUJOUZLYEWDE-SHYJEQFXSA-N 406.483 3.519 10 1 HHCF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c(O)ccc3cccnc23)N1 962691905 DRBDVZKLNLVRSQ-RDTXWAMCSA-N 406.335 3.787 10 1 HHCF Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 98208536 MRLPPIJHRIIWJS-JOCHJYFZSA-N 402.498 3.585 10 1 HHCF in-vitro COc1cccc(C2(NCc3ccc(O)c(CN4CCN(C)CC4)c3)CCCC2)c1 473099728 GYAKGBYNJVDDCK-UHFFFAOYSA-N 409.574 3.707 10 1 HHCF COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cn1 587276056 IQALALOWIIYLOA-VLXJIEOASA-N 405.414 3.788 10 1 HHCF Cc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1 28000374 FCMPDTKSOYPNKV-UHFFFAOYSA-N 401.514 3.710 10 1 HHCF COc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1cc(Cl)ccc1S2 22460931 UOCMCUJWPCOCOJ-IBGZPJMESA-N 404.963 3.707 10 1 HHCF O=C(CNC(=O)c1cccs1)N=Nc1c(O)[nH]c2ccc(Br)cc12 253928566 VCICIXWIZXEQAQ-UHFFFAOYSA-N 407.249 3.738 10 1 HHCF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1F 29405291 SGIOOGWCZBAOHC-QTIQAUKSSA-N 418.425 3.944 10 1 HHCF CN(C)CCNC(=O)c1ccc2c(NCCCCCCN)c3ccccc3nc2c1 64548550 GISUCQXKHXXPCB-UHFFFAOYSA-N 407.562 3.610 10 1 HHCF CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O 84690262 HNRVQTSTGMYTJQ-JTQLQIEISA-N 406.818 3.552 10 1 HHCF Cc1ccc(OC[C@]2(c3ccc(O)cc3O)NCCc3nc4ccccn4c32)cc1C 962994465 KQMZDKXNWDEDTN-RUZDIDTESA-N 415.493 3.831 10 1 HHCF Oc1cccc(O)c1C1(c2c(O)cccc2O)c2c(F)cccc2C[C@H]2CCCN21 963092066 JUZLWOQIKMXDSL-OAHLLOKOSA-N 407.441 3.961 10 1 HHCF CC1CCC(NS(=O)(=O)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 586953328 SDFYLIVHCXQGMO-UHFFFAOYSA-N 414.531 3.936 10 1 HHCF CCOC(=O)c1cc(Br)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587192826 FUDPAJIFQPIDKO-UHFFFAOYSA-N 418.291 3.598 10 1 HHCF O=C1C(=Cc2ccc[nH]2)C(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1 71316856 MNANZDKDESMGGC-UHFFFAOYSA-N 413.477 3.674 10 1 HHCF COc1cccc(CN(C)Cc2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1 95590377 GABXNXFLHZHLKN-UHFFFAOYSA-N 411.461 3.979 10 1 HHCF O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1c(Cl)cccc1Cl 96935497 YTWLDCGENDNJLL-UHFFFAOYSA-N 417.299 3.769 10 1 HHCF Cc1c(CC(=O)NC2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1 1857579038 KLTNAMOTPCREBR-UHFFFAOYSA-N 403.954 3.537 10 1 HHCF Oc1cc(CCc2cc(O)c(O)c(Br)c2)cc(Br)c1O 13377765 IFYFPCNWTZBOEQ-UHFFFAOYSA-N 404.054 3.819 10 1 HHCF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(C)c2)(c2ccccc2O)N1 587765392 TUCIESAUVJIPQW-FKIZINRSSA-N 416.294 3.853 10 1 HHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(C)cs3)cc2)c1O 103266495 GPPXZTIEQLOROW-UHFFFAOYSA-N 405.501 3.579 10 1 HHCF COc1cccc(CNC(=O)c2cn(CCN(C)C)c3cc(-c4cn[nH]c4)ccc23)c1 73196571 NHEKWXIYYVKCAY-UHFFFAOYSA-N 417.513 3.532 10 1 HHCF CC(=O)c1ccc2c(c1)[C@@H](c1cc(O)cs1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962631771 QSVZMVWPCRMSGX-WMZOPIPTSA-N 417.483 3.992 10 1 HHCF COc1cc(OC)cc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(N)=S)c1 1772645675 BCDAWIOOFHWNLH-HXUWFJFHSA-N 407.495 3.957 10 1 HHCF CN1CCN(c2cc(/C=C/c3ccc(N4CCOCC4)cc3)nc3ccccc23)CC1 299851376 FVOSWLPXBCJCJU-RMKNXTFCSA-N 414.553 3.994 10 1 HHCF COC(=O)c1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807252 LOOKXMBYELZSNN-OVWNDWIMSA-N 408.267 3.878 10 1 HHCF O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1)c1cc(O)c(O)c(O)c1 1911583199 HDEUYXJUPWSVEW-UHFFFAOYSA-N 400.337 3.586 10 1 HHCF CC[C@H](C)[C@H](Nc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12)C(=O)O 5848650 BNQAVSGRANMVFF-YWZLYKJASA-N 422.529 3.591 10 1 HHCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O 587742825 UDUGRHAYRMDWSF-NSPYISDASA-N 423.326 3.988 10 1 HHCF CN1c2ccccc2C(=O)N2[C@@H](C(=O)N3CCCCC3)Cc3c([nH]c4ccccc34)[C@H]12 96940374 RNBJAHDBFJVDSC-FYYLOGMGSA-N 414.509 3.696 10 1 HHCF Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3O)C[C@H]2c2ccccc2O)cc1 45336656 CWJNPCVTRABPHC-FQEVSTJZSA-N 408.479 3.946 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccno4)cc3)C2)cc1 142186507 IOCDLBZJRUMHEA-INIZCTEOSA-N 407.470 3.832 10 1 HHCF Cc1c(/N=[N+](\[O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 30730751 CSQSPVBKKCHHDS-NXVVXOECSA-N 406.267 3.862 10 1 HHCF in-vitro CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(C(N)=O)cc23)cc1 5138667 ZAVXCKSYRDQLKY-UHFFFAOYSA-N 406.467 3.602 10 1 HHCF COc1cc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)ccc1NS(C)(=O)=O 29307923 DGLDQSIMOGDONC-UHFFFAOYSA-N 423.498 3.676 10 1 HHCF O=C1c2c(O)ccc(NCc3cc(O)ccc3O)c2CN1CCc1ccc(F)cc1 13491733 UFKPPQVZNLHPLR-UHFFFAOYSA-N 408.429 3.753 10 1 HHCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc(OCCN4CCOCC4)cc3)S2)cc1 299829586 HRVOYRKVVBFXSX-PGMHBOJBSA-N 408.523 3.767 10 1 HHCF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 587802567 MZEMDGKUSREPGJ-LILOVNGRSA-N 420.282 3.982 10 1 HHCF CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587824280 ZINNMIDOKNEOGW-HOGDKLEQSA-N 408.267 4.000 10 1 HHCF C1=CC=C2NCCSCC/N=C3/C=CC=CC=C3NCCSCC/N=C\2C=C1 102984590 RGLZGXHYJBKLCU-VQINFILPSA-N 412.628 3.547 10 1 HHCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccc(Cl)cc3)C2)c(C)c1Cl 299862701 NPBJEMSVASGZBR-CQSZACIVSA-N 414.314 3.670 10 1 HHCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 103287749 WRBDJPQHAWJMOG-HIFRSBDPSA-N 409.181 3.957 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 1772624283 HHRFVMHIYVUIRU-YRUKQIKQSA-N 410.514 3.709 10 1 HHCF COc1cc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)ccc1O 169686809 DBPCQANDRGMRDF-BSYVCWPDSA-N 413.459 3.584 10 1 HHCF CCOC(=O)c1cc(C)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1C 587936007 IUSYWKONKWQQBP-UHFFFAOYSA-N 420.351 3.785 10 1 HHCF COc1ccc(N2CNC(=O)C23CCN([C@H]2Cc4cccc5cccc2c45)CC3)cc1 26392338 SWZFAPWRDUMRPR-QHCPKHFHSA-N 413.521 3.874 10 1 HHCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(NCC4CC4)nc32)cc1 40936020 GSQHKDJVSQHNAC-UHFFFAOYSA-N 414.517 3.799 10 1 HHCF CC(C)OC(=O)C1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC(F)(F)C1 587131788 TUCHVCOISTXDPC-UHFFFAOYSA-N 424.403 3.957 10 1 HHCF CCC[C@@H]1c2[cH-]cnc2C=C[C@H]1C(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 103531659 STZKXXCFZMCXPG-TZIWHRDSSA-N 423.533 3.922 10 1 HHCF biogenic,in-vitro Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccccc3Cl)C2)c(C)c1Cl 299865498 UBOZUAKXKUHRLM-AWEZNQCLSA-N 414.314 3.670 10 1 HHCF O=C(O)Cc1ccc(-c2ccccc2NC(=O)/C=C/c2cc(O)c(O)c(O)c2)s1 35275357 XQGGTSYFQWFPNV-VMPITWQZSA-N 411.435 3.811 10 1 HHCF COc1cc(Br)c(O)c([C@H]2NCCc3cc4cccc(OC)c4nc32)c1 963051224 YDUNSNROUPGOOR-LJQANCHMSA-N 415.287 3.955 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 587766906 OWHVTRNUMNPEEW-QKKBWIMNSA-N 418.354 3.796 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nnc(S)s3)[nH]c21 587025261 KASXAGNTFTZOEY-UHFFFAOYSA-N 410.505 3.771 10 1 HHCF COc1cc(/C=C\c2nc3ccc(I)cc3[nH]2)cc(O)c1O 587784614 BJHKVUVSBGPNTR-DJWKRKHSSA-N 408.195 3.758 10 1 HHCF COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 17261120 MJHUJOUZLYEWDE-XOCHXKMASA-N 406.483 3.519 10 1 HHCF CN(C)Cc1ccc(N2CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1857537509 GMUXMULYZOCCLQ-UHFFFAOYSA-N 421.994 3.691 10 1 HHCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2cc(N)ccc12 29308788 XQIMHQNWXPBVBH-UHFFFAOYSA-N 423.498 3.676 10 1 HHCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(Cl)cc3O)CC2)C1=O 473108540 NBBHQVQCSDRAHE-UHFFFAOYSA-N 407.942 3.710 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCC(F)F)cc3)C2)nc1 1772582497 QCNPQNPRTYNXDV-YWZLYKJASA-N 419.472 3.970 10 1 HHCF COC(=O)c1cc([C@H]2c3cc(OC)ccc3CCN2C(C)C)ccc1N1CCOCC1 962094624 WOULJTZBSXAGNM-DEOSSOPVSA-N 424.541 3.674 10 1 HHCF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962729078 GKCVPIUZZDAYAA-UWJYYQICSA-N 421.415 3.709 10 1 HHCF COC(=O)c1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807250 LOOKXMBYELZSNN-GIGQVBGESA-N 408.267 3.878 10 1 HHCF Cc1ccnc2c1CCN[C@H]2c1cc(C)n(-c2ccc(O[C@H](C)C(=O)O)cc2)c1C 963065367 DGZGIVQGTXGJHO-HXOBKFHXSA-N 405.498 3.885 10 1 HHCF Cc1cccc(Cc2c(C)nc3c(C(=O)N(C)Cc4ccccc4)cnn3c2O)c1 82230261 IXDKYNMXPQZIQN-UHFFFAOYSA-N 400.482 3.915 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768106 STXRZMAFFPBRFA-SZNDQCEHSA-N 418.354 3.964 10 1 HHCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2SCc1ccccc1 34203197 YYEFTOIQHQHUQZ-BHDDXSALSA-N 412.463 3.978 10 1 HHCF biogenic COCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587792920 LWDWZMJFUMBDOR-WYRIXSBYSA-N 410.283 3.943 10 1 HHCF CCN(CC)C(=O)CCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264537 HNHUIHSHDIRXGY-UHFFFAOYSA-N 407.495 3.689 10 1 HHCF CC(C)CN(Cc1ccc(N2CCC[C@H](O)C2)cc1)S(=O)(=O)Cc1ccccc1 224290842 IEUJMRRRARWENG-QHCPKHFHSA-N 416.587 3.636 10 1 HHCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(Cl)cc3)CC2)cc1 95573225 ITJYLWCHOYHMQB-HXUWFJFHSA-N 403.910 3.697 10 1 HHCF CN1CCN(Cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2O)CC1 587512421 DHXOUUQXTIFEGV-DEOSSOPVSA-N 406.526 3.725 10 1 HHCF CSc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)NCc1ccc(N)cc1 117854945 TVKLFQICQPFXPX-BEFAXECRSA-N 412.559 3.542 10 1 HHCF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1c(O)ccc(Cl)c1F 963189718 MAVGMUGGLGIIEF-HXUWFJFHSA-N 407.869 3.943 10 1 HHCF COc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(O)c1O 587785435 LWGVKVCRQGHQRD-DJWKRKHSSA-N 406.192 3.824 10 1 HHCF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1 29404049 MXDCJYSSPSKZGW-QTIQAUKSSA-N 400.435 3.805 10 1 HHCF COc1c(O)c(O)cc2c1CC[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@H]2[C@@H]1O 2356729586 SOMVMWASPGNDQA-BZHUUFARSA-N 412.482 3.759 10 1 HHCF CCOC(=O)COc1ccc(COc2ccc(O)c(CN)c2)c(Cl)c1Cl 28020502 VAIBBEGQZQRRGN-UHFFFAOYSA-N 400.258 3.679 10 1 HHCF COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccc2)C(=O)c2ccccc2C1=O 1663101 WSJKAULYUSRFND-UHFFFAOYSA-N 411.413 3.957 10 1 HHCF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(Cl)cc1)(c1ccc(O)cc1O)NCC2 962925216 QDPVIWUEFJJYQA-DEOSSOPVSA-N 422.912 3.891 10 1 HHCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c([C@@H](C)N)c2)c(Cl)c1Cl 29346149 FORJKHSDYNXUIP-SNVBAGLBSA-N 412.269 3.892 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CCOC4)cc3)C2)cc1 1772624867 ZYLYHFYXEHVBQZ-DMJCMNNJSA-N 424.541 3.957 10 1 HHCF O=C(Nc1ccc(CCS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccccc1 1857641758 ANHCXWVSHZHZCT-FYWRMAATSA-N 423.490 3.978 10 1 HHCF Cc1ccc(NC(=O)OCCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27724190 KEZPWJSQSPIDMD-IIBYNOLFSA-N 402.491 3.837 10 1 HHCF COC(=O)c1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812475 ZLXIQPVYZVRMGJ-GIGQVBGESA-N 408.267 3.878 10 1 HHCF N[C@H](Cc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)C(=O)O 26935771 ZMVUXJCNEMOWSY-GOSISDBHSA-N 402.410 3.994 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)cc2)N1 587765253 JAQYSDMMLQFVRV-RBZFPXEDSA-N 404.327 3.621 10 1 HHCF Cn1c(O)c(N=NC(=O)CNC(=O)c2ccccc2)c2cc(Br)ccc21 253960890 BTVQHCPVHBBQLN-UHFFFAOYSA-N 415.247 3.687 10 1 HHCF CCCc1c(O)ccc2c1O[C@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587473320 RSRKSRROKYSKPT-XMSQKQJNSA-N 415.490 3.749 10 1 HHCF CC1=NN(S(=O)(=O)c2ccccc2C)[C@@H](c2cc(Br)ccc2O)C1 653738893 LALFJNIKAXDVSW-OAHLLOKOSA-N 409.305 3.975 10 1 HHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(N2CCN(C)CC2)cc1Cl 963609246 NFHNOGJKCRKZQC-IQMFZBJNSA-N 415.965 3.733 10 1 HHCF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cc(F)cc(F)c2)SC1=S 96923492 WQQHYVFYTUSAJD-HVVQPJKBSA-N 405.447 3.862 10 1 HHCF COc1ccc(N2CCN(C[C@@H]3OCCCc4cc(OC)c(OC)cc43)CC2)cc1 27727022 RQJZFACWKNNJDL-DEOSSOPVSA-N 412.530 3.539 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)[C@@H]4CCOC4)cc3)C2)cc1 142346386 ZKULDYCRSZZELE-PKOBYXMFSA-N 410.514 3.567 10 1 HHCF COCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798135 XOPWSLIHHFFVAO-NSPYISDASA-N 410.283 3.943 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3cc(F)cc4c3OCOC4)[nH]c21 587171816 SRKIIINITAHLIE-UHFFFAOYSA-N 414.392 3.935 10 1 HHCF COc1c(CCC(C)(C)O)c(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 40421273 MSRCSJJZGZPZMA-UHFFFAOYSA-N 400.383 3.521 10 1 HHCF biogenic CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 13143684 SZFXIWSPFITWIU-KSMPYDNASA-N 403.500 3.511 10 1 HHCF COc1cc(/C=C/c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(O)c1O 587786302 SJTCEMSKXSILQC-NSCUHMNNSA-N 405.204 3.614 10 1 HHCF CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 14721710 AOOKBXRZOJECCD-UHFFFAOYSA-N 410.378 3.694 10 1 HHCF biogenic COC(=O)Cc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587808770 PEBDTCJBTTVXEJ-DGIBIBHMSA-N 408.267 3.633 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587744167 GJBFJVDWGCSTED-CQLKUDPESA-N 411.227 3.705 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)cc2)N1 587767154 QRVFFQQNMMQODY-RBZFPXEDSA-N 404.327 3.621 10 1 HHCF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587264988 QYWSJAIQQIOUGH-INIZCTEOSA-N 405.414 3.794 10 1 HHCF CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 64527224 SHVCHMGRIYXVAY-OAQYLSRUSA-N 409.599 3.955 10 1 HHCF Cn1cc(-c2cnc3[nH]cc(-c4cc(N5CCOc6ccccc65)nc(N)n4)c3c2)cn1 169700768 VYSODGHTYHIDDJ-UHFFFAOYSA-N 424.468 3.533 10 1 HHCF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O 587805879 IBMOISUATNYSHK-AYVTZFPOSA-N 412.255 3.640 10 1 HHCF C[C@H]1CN(c2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)C[C@@H](C)N1 95598601 SMPQHUAZQHYIMG-BETUJISGSA-N 414.358 3.981 10 1 HHCF O=C(CNC(=O)Cc1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 253916543 LOSNTOQAZBMGRR-UHFFFAOYSA-N 415.247 3.605 10 1 HHCF CC=CC[C@](C)(O)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356559499 IVVXCIFNKDZFST-DEOSSOPVSA-N 404.418 3.756 10 1 HHCF O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCc2ccc(O)c(O)c2O)s1 35274885 KQKDZICPZJFAJG-UHFFFAOYSA-N 413.451 3.730 10 1 HHCF Cc1cc(C(=O)c2ccccc2)c(C)n1-c1ccc(-c2nnn(C(=O)N(C)C)n2)cc1 96258081 VIWVQVMMQFIHKV-UHFFFAOYSA-N 414.469 3.508 10 1 HHCF Cc1nc2sc3c(c2c(C)c1Br)N[C@H](c1ccc(O)c(O)c1)NC3=O 1857614533 HENQWNTYUAVIOF-HNNXBMFYSA-N 420.288 3.941 10 1 HHCF COc1ccc(N2CCN(CCCN3CCCCc4ccccc4C3=O)CC2)cc1 40918783 SGPQBAMKWVQVFJ-UHFFFAOYSA-N 407.558 3.686 10 1 HHCF Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3O)C[C@@H]2c2ccc(O)cc2)cc1 45385840 OBZXLBFBRIQSQU-OAQYLSRUSA-N 408.479 3.946 10 1 HHCF COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc12 587275690 FUVJBMLUTYWIDI-IIYDPXPESA-N 405.414 3.788 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(C)c2)(c2ccccc2O)N1 587765393 TUCIESAUVJIPQW-MPBGBICISA-N 416.294 3.853 10 1 HHCF CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 101900409 IVFLOMBMZSYNAC-ZJVPAZETSA-N 417.527 3.901 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587743974 FVRHCRRIDMCNCL-BCTVWOGZSA-N 409.211 3.638 10 1 HHCF C[C@@H]1CCC[C@@H]2C=C(C(=O)O)[C@H](C)C[C@]23OC(=O)[C@@]2(C)C(=O)C(=O)[C@@H](C[C@H]32)[C@H](C)C1 2356392252 VYVUCONKFCPKEV-JFORPDMVSA-N 416.514 3.576 10 1 HHCF NC(=O)O[C@@H](CCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 95574400 RDLBFGMNNGBDRR-IBGZPJMESA-N 423.435 3.934 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587744001 FVRHCRRIDMCNCL-VPTHRUTESA-N 409.211 3.638 10 1 HHCF Cc1nocc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149955951 FJOHTQYJCRJXJT-HNNXBMFYSA-N 419.481 3.849 10 1 HHCF COc1cccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(N)=S)c1OC 1772633114 DBARUCQMQFTIEJ-GOSISDBHSA-N 407.495 3.957 10 1 HHCF O=C(CNC(=O)c1ccccc1)OCc1ccc(/C=C/c2ccc(O)c(O)c2)cc1 43059202 UNKPFOQYAWSTOM-RMKNXTFCSA-N 403.434 3.741 10 1 HHCF C[C@H](NC(=O)c1cnco1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 150204290 MUXHWTWUFSTDJM-HNNXBMFYSA-N 405.454 3.541 10 1 HHCF O=C(CNC(=O)c1cccs1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 18246813 VCICIXWIZXEQAQ-VXPUYCOJSA-N 407.249 3.738 10 1 HHCF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc(O)c(O)c2)c2c(n[nH]c2C)O3)cc1 1772623718 SRKUBRUYOHRUAH-SFHVURJKSA-N 417.425 3.957 10 1 HHCF C[C@@H](CCCCCNC(=O)OCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 27729703 DZEFSBVJMODQSH-JTSKRJEESA-N 416.518 3.596 10 1 HHCF Cc1cccc(N(CC(=O)N=Nc2c(O)[nH]c3ccccc23)S(C)(=O)=O)c1C 253993053 AKNJJGCUPRKGPH-UHFFFAOYSA-N 400.460 3.567 10 1 HHCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2SCc1ccccc1 34203201 YYEFTOIQHQHUQZ-YPAWHYETSA-N 412.463 3.978 10 1 HHCF biogenic CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc4c(cc3F)OCCCO4)C2)cc1 209121447 BQYIKOFKDONVNP-HNAYVOBHSA-N 414.477 3.842 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 169689772 AVSFNVCPZFZDDL-BTWAPCQXSA-N 417.527 3.901 10 1 HHCF COc1cc(OC)cc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c1 1772592550 LMUWIOQCPCOIBT-IBGZPJMESA-N 407.495 3.957 10 1 HHCF C[C@H]1C[C@H](C)CCC[C@@H]2C=C(C(=O)O)[C@H](C)C[C@]23OC(=O)[C@@]2(C)C(=O)C(=O)[C@H]1C[C@H]32 2356392254 VYVUCONKFCPKEV-RMPOPQMNSA-N 416.514 3.576 10 1 HHCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CF)cc3)C2)c(OC)c1 142185663 VCJPZUWDWYXNAP-INIZCTEOSA-N 416.493 3.898 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c21 586924271 NRJFDIBDGAJVIO-SEYXRHQNSA-N 414.442 3.783 10 1 HHCF Cc1cc(C)c(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c(C)c1 40864538 RRLDMIXAFYGGJG-NIAMQAJOSA-N 423.509 3.596 10 1 HHCF Cn1cc(-c2ncc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)s2)cn1 587021191 GHSXGXDKGMASME-UHFFFAOYSA-N 411.446 3.862 10 1 HHCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CC3(CCCCC3)Oc3c2ccc(O)c3O)N1 962925633 WPBBYXMIJWHWPG-GAJHUEQPSA-N 413.445 3.565 10 1 HHCF COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3nc4ccccc4[nH]3)C2=O)c1 103192737 VGGWQSPXOBJJBT-YVLHZVERSA-N 411.508 3.982 10 1 HHCF COc1c(O)c(O)cc2c1CC[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@@H]2[C@H]1O 2356729588 SOMVMWASPGNDQA-WBNPSLLBSA-N 412.482 3.759 10 1 HHCF COC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587803721 BQSWTLZSGWLRAN-DGIBIBHMSA-N 408.267 3.878 10 1 HHCF CCN(CC)CCCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 28757452 VDQXOVDASMFQCU-UHFFFAOYSA-N 406.530 3.774 10 1 HHCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 103287743 WRBDJPQHAWJMOG-ZFWWWQNUSA-N 409.181 3.957 10 1 HHCF COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 17261124 MJHUJOUZLYEWDE-DPKOUSHESA-N 406.483 3.519 10 1 HHCF O=C1NN(C(=O)c2ccc(F)cc2)C(c2ccccc2)=N/C1=C/c1ccc(O)cc1 64503542 LTBGKQIWGYJKLY-XSFVSMFZSA-N 401.397 3.506 10 1 HHCF COc1cc(O)c([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1Br 963609698 NVGUUZGXDKAMCD-GIGQVBGESA-N 408.292 3.804 10 1 HHCF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(O)c1O 587594238 NKSFNGIELHIEMH-KKSFZXQISA-N 410.378 3.524 10 1 HHCF Cc1ccc(N(C)C(=O)CCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27555123 RPZFDUHVVLVSMP-VGSWGCGISA-N 400.519 3.641 10 1 HHCF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 40836423 MLAWLJSNDKWVAB-JKRXEXRUSA-N 403.519 3.574 10 1 HHCF O=C(O)[C@@H](Cc1ccccc1)N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 72176762 GGLSUZDCCRHZJV-LFPSXHGSSA-N 411.461 3.607 10 1 HHCF COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N)cc2)CC3)cc1 14969487 OGVWKHPUKXDHAB-UHFFFAOYSA-N 402.376 3.685 10 1 HHCF O=C(NCc1cc(O)ccc1O)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 103234438 PPHUFTQKEXEGSF-UHFFFAOYSA-N 409.482 3.907 10 1 HHCF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587052367 QFTOGAAYUQUMDM-MRXNPFEDSA-N 417.852 3.940 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587748218 VVAJTVUCZROTDA-VPTHRUTESA-N 409.211 3.638 10 1 HHCF Cc1nc2sc3c(c2c(C)c1Br)N[C@@H](c1ccc(O)c(O)c1)NC3=O 1857614534 HENQWNTYUAVIOF-OAHLLOKOSA-N 420.288 3.941 10 1 HHCF COc1cc2nc3c(cc2c(CN2CCN(C)CC2)c1O)CSc1ccccc1-3 43010631 KFDQRBARSQEOHN-UHFFFAOYSA-N 407.539 3.969 10 1 HHCF COC(=O)Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805188 HDTWRJJEQFCYBD-DGIBIBHMSA-N 408.267 3.633 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586949012 XDAPLVGNCNAAFI-UHFFFAOYSA-N 409.467 3.886 10 1 HHCF Cc1cccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c1C 101474813 AKNJJGCUPRKGPH-QURGRASLSA-N 400.460 3.567 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c21 586924270 NRJFDIBDGAJVIO-OUKQBFOZSA-N 414.442 3.783 10 1 HHCF C[C@@H]1CCC[C@@H]2C=C(C(=O)O)[C@H](C)C[C@]23OC(=O)[C@]2(C)C(=O)C(=O)[C@@H](C[C@@H]23)[C@H](C)C1 2356392253 VYVUCONKFCPKEV-OJNNJHHLSA-N 416.514 3.576 10 1 HHCF CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O 84689807 KXEYRABENKSUQJ-INIZCTEOSA-N 400.427 3.855 10 1 HHCF COc1ccccc1N1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O 53226555 SJBUXDBJZBPNSP-UHFFFAOYSA-N 416.433 3.616 10 1 HHCF CN(C)CCNC(=O)c1cccc2c(NCCCCCCN)c3ccccc3nc12 64549604 CVBWHNKNLUKGLN-UHFFFAOYSA-N 407.562 3.610 10 1 HHCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CC2 84462545 KDOZTTLWZAFGNT-HXUWFJFHSA-N 413.949 3.588 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1C[C@@H](C)CC2 1186162 DRIVUZOCVWJTKJ-YYFFNPIBSA-N 403.500 3.511 10 1 HHCF O=C(Nc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O)c1ccc(O)c(O)c1 3819433 KOQFJLOLHWBWMH-UHFFFAOYSA-N 405.362 3.535 10 1 HHCF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(CN(C)C)c1O 587574824 ZAKHILANSCQVLD-YKSBVNFPSA-N 421.449 3.871 10 1 HHCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587743850 FOLHXYNSOFKKKF-VPTHRUTESA-N 411.227 3.834 10 1 HHCF COCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587792918 LWDWZMJFUMBDOR-WLRWDXFRSA-N 410.283 3.943 10 1 HHCF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(CN(C)C)c1O 587574821 ZAKHILANSCQVLD-HYBUGGRVSA-N 421.449 3.871 10 1 HHCF COc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(O)c1O 587784563 AJJPZVQTZHLABY-NSCUHMNNSA-N 406.192 3.824 10 1 HHCF COc1cc(/C=C/c2nc3cccc(I)c3[nH]2)cc(O)c1O 587785273 JZGDQAKSRIGUJD-AATRIKPKSA-N 408.195 3.758 10 1 HHCF Cc1c(CCOCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 95586392 WAFVBZHIHSRFIK-UHFFFAOYSA-N 413.539 3.798 10 1 HHCF O=C(NCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)Oc1ccccc1 27647058 GWOIGHVRVVNHAK-UHFFFAOYSA-N 415.449 3.776 10 1 HHCF CCS(=O)(=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586922714 RNUHMGOJXBWCNS-UHFFFAOYSA-N 416.458 3.799 10 1 HHCF CCOc1ccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1 95557446 QMMMRXVBSGZXCO-UHFFFAOYSA-N 423.557 3.951 10 1 HHCF O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(CN2CCCC2)c(O)c2ncccc12 1857763837 XNMFZUXLGXWOJH-UHFFFAOYSA-N 406.442 3.626 10 1 HHCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(Cl)cc2)c1=O 169325930 MCIMOPGPVOOBKZ-FMQUCBEESA-N 402.823 3.912 10 1 HHCF CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587824279 ZINNMIDOKNEOGW-AYLIAGHASA-N 408.267 4.000 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 587766908 OWHVTRNUMNPEEW-SZNDQCEHSA-N 418.354 3.796 10 1 HHCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc(Br)cc(Cl)c2O)N1 962909200 WEMUVFRVMWYMCN-UONOGXRCSA-N 400.631 3.636 10 1 HHCF O=C(N[C@@H]1CCc2ccccc2C1)c1cc(NCc2cc(O)ccc2O)ccc1O 12352725 SYCMXLYZSYMXJR-LJQANCHMSA-N 404.466 3.703 10 1 HHCF COc1ccc(N2CNC(=O)C23CCN([C@@H]2Cc4cccc5cccc2c45)CC3)cc1 26392334 SWZFAPWRDUMRPR-HSZRJFAPSA-N 413.521 3.874 10 1 HHCF O=C1c2ccccc2-c2c1c1ccc(Cl)cc1c(=O)n2CCCN1CCOCC1 473172420 WNFLVDRDZJWJTN-UHFFFAOYSA-N 408.885 3.589 10 1 HHCF Cc1ccnc2c1CCN[C@@H]2c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)O)cc2)c1C 963065360 DGZGIVQGTXGJHO-GAJHUEQPSA-N 405.498 3.885 10 1 HHCF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 15937481 LXVJSAUZIZXMTA-IBGZPJMESA-N 424.501 3.712 10 3 HHCF Cc1cc(Cl)ccc1N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)S(C)(=O)=O 101910008 UZPHYIOOBYGWLR-QURGRASLSA-N 420.878 3.912 10 1 HHCF COc1cccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c1OC 1772572177 QRRDMGBPKXDLQQ-KRWDZBQOSA-N 407.495 3.957 10 1 HHCF CN(C)CCn1nc2c3c(c(NCCc4cccs4)ccc31)C(=O)c1ccncc1-2 95586517 XNTONGJWMVMBPX-UHFFFAOYSA-N 417.538 3.920 10 1 HHCF CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(c3ccc(OC(F)(F)F)cc3)C[C@@H]21 96921258 ZUJQPZQLZLZMCC-FCLVOEFKSA-N 413.484 3.550 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1C[C@H](C)CC2 13154144 DRIVUZOCVWJTKJ-KPNNVRJVSA-N 403.500 3.511 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)[C@H]4CNC(=O)C4)cc3)C2)cc1 96173009 XKIQQBRLINSDAI-IEBWSBKVSA-N 422.525 3.552 10 1 HHCF O=C(O)c1cc(=O)c2cc(/N=N/c3ccc4oc(C(=O)O)cc(=O)c4c3)ccc2o1 96923485 KPOISJYWYDMKGT-QURGRASLSA-N 406.306 3.711 10 1 HHCF Cc1cc(C)cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 66098877 QNCHUZFQWQGZGX-UHFFFAOYSA-N 422.462 3.651 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275338 CCSYKUGQKRCWKD-SXGZJXTBSA-N 414.429 3.582 10 1 HHCF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2c(O)ccc3cccnc23)N1 962691902 DRBDVZKLNLVRSQ-KSSFIOAISA-N 406.335 3.787 10 1 HHCF Cc1ccc(Cn2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)nc3ccccc32)cc1 1857653377 UUDWLWAJPTZIEF-YVLHZVERSA-N 423.519 3.679 10 1 HHCF Cc1[nH]c2ccccc2c1C(=O)C(=O)c1c(CO)oc2cc(Br)cnc12 587272919 DSVALPOUAJCAAF-UHFFFAOYSA-N 413.227 3.938 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)cc2)N1 587765255 JAQYSDMMLQFVRV-RNODOKPDSA-N 404.327 3.621 10 1 HHCF COCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587792917 LWDWZMJFUMBDOR-NSPYISDASA-N 410.283 3.943 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)OC(F)(F)O4)C2)cc1 1772596642 BLJBQTSRBUADKN-SCLBCKFNSA-N 404.413 3.863 10 1 HHCF COc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccc(OC)cc3nc2c1 13601085 MJQDOQLIFBCNNJ-UHFFFAOYSA-N 409.467 3.796 10 1 HHCF Cc1cccc(N2CCN(CC(=O)N[C@H]3CCc4c(C)cc(C)c(O)c43)CC2)c1C 26165481 UWVASGJTWZUXPX-NRFANRHFSA-N 407.558 3.552 10 1 HHCF Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 53224518 MBMHFBSFNIOEFU-UHFFFAOYSA-N 404.397 3.747 10 1 HHCF Cc1cc(Cl)ccc1N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)S(C)(=O)=O 253989121 UZPHYIOOBYGWLR-UHFFFAOYSA-N 420.878 3.912 10 1 HHCF COc1cc2c(cc1OC)-c1cnc3cc4c(cc3c1N(CCN(C)C)C2)OCO4 27079299 DPRCHZHPCSYVFO-UHFFFAOYSA-N 407.470 3.529 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587744207 GJBFJVDWGCSTED-QPFGOUBPSA-N 411.227 3.705 10 1 HHCF CC[C@@H](C)[C@@H](Nc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12)C(=O)O 5848659 BNQAVSGRANMVFF-FOIQADDNSA-N 422.529 3.591 10 1 HHCF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(N4CCOCC4)cc3)oc2c1 169045467 VUMHLSDGAKCABJ-OAHLLOKOSA-N 404.470 3.582 10 1 HHCF COc1ccc(NCc2cc(O)ccc2O)c2c1C(=O)N(CCc1ccccc1)C2 13491734 JZRZBYQTNZCCKE-UHFFFAOYSA-N 404.466 3.917 10 1 HHCF O=C([C@H]1Cc2ccccc2[C@H](c2cc(Br)c(O)cc2O)N1)C(F)(F)F 962732134 XDRCUCKNZMKTIT-IUODEOHRSA-N 416.193 3.595 10 1 HHCF CCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 13652361 DOBJCFZZJDMIKS-UHFFFAOYSA-N 407.422 3.759 10 1 HHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cc(-n2ccnc2)cs1 72124609 BQZBQISWDVSZLS-UHFFFAOYSA-N 420.494 3.816 10 1 HHCF COc1c(N/C=C2\C(=O)N(c3ccccc3C)N=C2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 137382723 DEJSCNAPESQRJQ-UVTDQMKNSA-N 411.374 3.539 10 1 HHCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc(OC(=O)N4CCOCC4)cc3)S2)cc1 299840631 VUHNMFZQHQUXPV-RGEXLXHISA-N 408.479 3.887 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2O)N1 587776664 XVDWFCKQAQGTHD-YUNKPMOVSA-N 421.310 3.754 10 1 HHCF O=C(CCc1ccc(O)c(O)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659181 YRTLWRZHCYZIHR-UHFFFAOYSA-N 404.397 3.887 10 1 HHCF COC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587803423 ALTREEAOLPSPJE-OVWNDWIMSA-N 408.267 3.878 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4845889 UVOIZGYJDKPXFY-AUSJPIAWSA-N 407.422 3.621 10 1 HHCF COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc(N)cc1C3=O 28711264 XJGSUBISCUNULI-UHFFFAOYSA-N 405.414 3.513 10 1 HHCF O=C(CNC(=O)c1ccccc1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 102367476 YIIXRAGHLUGBCW-DQRAZIAOSA-N 401.220 3.676 10 1 HHCF COc1cccc2c1C(=O)c1c(c(O)c3cc([C@H](C)OC(C)=O)ccc3c1O)C2=O 15205740 NJRBMOQXCKOVBK-JTQLQIEISA-N 406.390 3.659 10 1 HHCF biogenic CN(C)S(=O)(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 29388794 LSRZQYMNLKGBCU-UHFFFAOYSA-N 416.474 3.551 10 1 HHCF COC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587803720 BQSWTLZSGWLRAN-APBUJDDRSA-N 408.267 3.878 10 1 HHCF O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccccc3O)CC2)cc1 12074932 GSGMIQRRFVYDSJ-UHFFFAOYSA-N 417.509 3.761 10 3 HHCF CN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 42887830 IONUZUYJIIWEOG-UHFFFAOYSA-N 423.494 3.812 10 1 HHCF O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 7002901 KNCDMYPIJKEMRK-NHCUHLMSSA-N 407.397 3.802 10 1 HHCF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 587802327 LEDSRCCRJWZQEY-LILOVNGRSA-N 420.282 3.982 10 1 HHCF CCCC[C@@H]1CC[C@](CCc2cc(CNC)c(O)c(OC)c2)(OC(C)=O)C[C@H]1O 85627678 FYMRIADKJAOCIS-XQFWAAQXSA-N 407.551 3.706 10 1 HHCF biogenic,in-vitro CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCC(F)F)cc3)C2)nc1 1772582496 QCNPQNPRTYNXDV-MGPUTAFESA-N 419.472 3.970 10 1 HHCF COc1c(O)c(O)cc2c1CC[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@@H]2[C@@H]1O 2356729585 SOMVMWASPGNDQA-AJYZATQSSA-N 412.482 3.759 10 1 HHCF CN(C)c1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 103297504 PEGKLYPOPODSEH-VXWZWFMZSA-N 416.569 3.634 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586949233 RDIJZHAYYBUXIP-UHFFFAOYSA-N 405.785 3.979 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587744775 FOXRRULDIMSLLV-ZKANADHPSA-N 411.227 3.834 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 1163572 UVOIZGYJDKPXFY-QEEYODRMSA-N 407.422 3.621 10 1 HHCF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C=[N+]=[N-])CC(=O)c2ccc3c(c2O1)CCCC3 587507905 DARQAKHWKCQKER-AUSIDOKSSA-N 411.502 3.970 10 1 HHCF CC(C)CCn1cnc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1 1911580015 XGIJWWJNPQPKBI-UHFFFAOYSA-N 422.732 3.852 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)OC(F)(F)O4)C2)cc1 1772596643 BLJBQTSRBUADKN-UGSOOPFHSA-N 404.413 3.863 10 1 HHCF O=S(=O)(Nc1cn(C2CCC2)cn1)c1cc(Br)cc(Cl)c1O 1911574780 PJAVKNBPZPRFPY-UHFFFAOYSA-N 406.689 3.530 10 1 HHCF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356288559 HBEPVBRKVINNRM-ARNLJNQMSA-N 408.542 3.765 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586948243 LZQFHJJFLXUAGA-UHFFFAOYSA-N 409.467 3.886 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 587766438 NHQXZYBFEAXQJN-SPLOXXLWSA-N 418.354 3.796 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CCOC4)cc3)C2)cc1 1772624869 ZYLYHFYXEHVBQZ-KHOMTPLRSA-N 424.541 3.957 10 1 HHCF Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 13672420 QQZIXJZPJJNMPH-UHFFFAOYSA-N 418.844 3.954 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1C[C@@H](C)CC2 169689776 DRIVUZOCVWJTKJ-SCYJSFNGSA-N 403.500 3.511 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587741062 LPFFZZAIUDNEIK-BIBXISHDSA-N 423.326 3.859 10 1 HHCF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2C(=O)c2c(O)ccc(O)c21 963051353 DRNQQWXFPFLKHR-AREMUKBSSA-N 424.456 3.637 10 1 HHCF CCN(CC)CCNc1cccc2c1C(=O)c1c(NCCCCCO)cccc1C2=O 38807098 CJZYQLDBZVFPLM-UHFFFAOYSA-N 423.557 3.790 10 1 HHCF COc1cc(OC)cc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(N)=S)c1 1772645674 BCDAWIOOFHWNLH-FQEVSTJZSA-N 407.495 3.957 10 1 HHCF COc1ccccc1C(=O)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 28765543 AZNPCZWRJIKNIZ-UHFFFAOYSA-N 409.530 3.845 10 1 HHCF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587232258 VGVNXCPKRQPGJM-MOPGFXCFSA-N 408.502 3.974 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)O2 587399276 IAWXCCCYWFHOGL-GBEZNDHNSA-N 404.466 3.996 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 586948643 QDVOHEUSKBALQH-UHFFFAOYSA-N 410.455 3.682 10 1 HHCF COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(O)c1O 587785272 JYURLXQNTADKMN-TWGQIWQCSA-N 412.401 3.929 10 1 HHCF O=C(O)Cc1ccc(-c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2O)s1 35276391 AUAHHVYUXMHSDO-UXBLZVDNSA-N 411.435 3.811 10 1 HHCF CC(=O)c1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 103297349 GVAWJQXOLOPHJX-VXWZWFMZSA-N 415.537 3.771 10 1 HHCF CCc1oc(=O)c(Cc2c(O)c(O)c(C(C)=O)c(CC=C(C)C)c2O)c(O)c1C 238736562 MTOOYJXSAAPLLB-UHFFFAOYSA-N 402.443 3.635 10 1 HHCF COc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(O)c1O 587784562 AJJPZVQTZHLABY-IHWYPQMZSA-N 406.192 3.824 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)O2 587409364 RRGCWVBWFFJLSX-DEOSSOPVSA-N 417.417 3.988 10 1 HHCF Cc1cc(F)cc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963134246 DJJOTYXIHIPMQW-KGLIPLIRSA-N 408.451 3.632 10 1 HHCF Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3O)C[C@H]2c2ccc(O)cc2)cc1 45385836 OBZXLBFBRIQSQU-NRFANRHFSA-N 408.479 3.946 10 1 HHCF COc1cc(OCC2CC2)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1 142321899 QMCHRYKGBAXNIO-INIZCTEOSA-N 410.514 3.949 10 1 HHCF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 587586437 CFWIIEFEOOHJPO-FDDCHVKYSA-N 418.405 3.865 10 1 HHCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)cc1 5138680 ALFJHYIUHPVVIS-UHFFFAOYSA-N 406.467 3.602 10 1 HHCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO 95878556 QWCAWCVEVWHIFJ-NZJKTDFXSA-N 417.553 3.982 10 1 HHCF CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169300328 UVOIZGYJDKPXFY-SXGZJXTBSA-N 407.422 3.621 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587740444 JZRSLBHTMABHLK-BIBXISHDSA-N 423.326 3.859 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587744774 FOXRRULDIMSLLV-VPTHRUTESA-N 411.227 3.834 10 1 HHCF CC(C)(C)OC(=O)N1[C@H](c2cc(Br)ccc2O)SC[C@H]1C(=O)O 45284760 HOBUXGKNJSGAOJ-JQWIXIFHSA-N 404.282 3.590 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(O[C@H]4CCOC4)cc3)C2)cc1 1772603333 HHRFVMHIYVUIRU-DPSWKAHMSA-N 410.514 3.709 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@H]4CCOC4)cc3)C2)cc1 1772603336 HHRFVMHIYVUIRU-VWMXVWASSA-N 410.514 3.709 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(C)c2)(c2ccccc2O)N1 587763795 MPRUUBCZLYMDJH-YUNKPMOVSA-N 416.294 3.853 10 1 HHCF CC=C[C@@H](O)[C@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356384826 CRCKMDDPCOAZQX-SWLSCSKDSA-N 404.418 3.623 10 1 HHCF O=c1oc2c3c4c(cc(O)cc4oc4c(O)c(O)cc1c43)O[C@H]2c1ccc(O)c(O)c1 2356814579 CJIFHJVFDLLFLE-IBGZPJMESA-N 420.329 3.702 10 1 HHCF CN(C)CCNC(=O)c1cccc2nc3ccc4c(Br)cccc4c3nc12 27848400 XQPBWTPESMDJMM-UHFFFAOYSA-N 423.314 3.990 10 1 HHCF COc1cc(Br)cc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1O 35901745 OTTYIWVAUNQAOB-UHFFFAOYSA-N 420.307 3.513 10 1 HHCF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1ccc2c(c1)OCCO2 962896132 KKDFGRWDBMQLPQ-CVDCTZTESA-N 422.456 3.693 10 1 HHCF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 587586440 CFWIIEFEOOHJPO-WZONZLPQSA-N 418.405 3.865 10 1 HHCF CCOc1ccc2nc(Cl)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c1 1772616193 AQSSIARJWLYABS-QPEQYQDCSA-N 408.888 3.573 10 1 HHCF CCCC(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49073041 CATZELKZCWQOCF-LURJTMIESA-N 403.796 3.720 10 1 HHCF COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc12 587275688 FUVJBMLUTYWIDI-GDZNZVCISA-N 405.414 3.788 10 1 HHCF COc1ccc(N2CCN(C(=O)CCCSc3nc4ccccc4[nH]3)CC2)cc1 12508051 VTAUDHJYAMHUCC-UHFFFAOYSA-N 410.543 3.793 10 3 HHCF CCOc1ccccc1/N=N/[C@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2C)N=C1C 102945735 BQJLMWGWNBUCGP-JOWZZTKRSA-N 421.457 3.620 10 1 HHCF CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)[C@@H](C)O 95605587 FKSQALHWIWYQJQ-IUODEOHRSA-N 418.929 3.950 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 169689762 SZFXIWSPFITWIU-ZTJZGAFRSA-N 403.500 3.511 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 587766904 OWHVTRNUMNPEEW-LHSJRXKWSA-N 418.354 3.796 10 1 HHCF Nc1ccc(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(O)cc4)n[nH]c2-3)cc1 653698624 NIGZPNRQLRUEKZ-UHFFFAOYSA-N 410.433 3.757 10 1 HHCF CC(=O)Oc1cc(OC(C)=O)c2cc3c(cc2c1OC(C)=O)C(=O)C1(CCCC1)C3=O 1617088 LXRVGAIWLBTWPC-UHFFFAOYSA-N 424.405 3.555 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1C[C@@H](C)CC2 100507794 DRIVUZOCVWJTKJ-IKUJJKIKSA-N 403.500 3.511 10 1 HHCF COc1cccc2c1C(=O)c1c(c(O)c3cc([C@@H](C)OC(C)=O)ccc3c1O)C2=O 15205737 NJRBMOQXCKOVBK-SNVBAGLBSA-N 406.390 3.659 10 1 HHCF biogenic O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 962961788 HCSKAXJSERUYLJ-IINYFYTJSA-N 419.167 3.574 10 1 HHCF O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)c1ccccc1F 40420308 LVOAYQJJANPWSW-UHFFFAOYSA-N 424.450 3.566 10 1 HHCF COC(=O)Cc1ccc(-n2c(C)cc([C@H]3NCCc4c(C(=O)O)cccc43)c2C)cc1 963126694 WXLPLCYUKPWBFV-DEOSSOPVSA-N 418.493 3.743 10 1 HHCF CCn1cc2c3c(cccc31)[C@H]1C[C@@H](NC(=O)C3CCC(OC)CC3)CN(C)[C@@H]1C2 27727348 PSKBIKWAMGJLDI-BGZAZWJKSA-N 409.574 3.695 10 1 HHCF COc1cc(/C=C2\SC(=S)N(Cc3ccncc3)C2=O)cc(OC)c1OC 169320889 RKCRDRPNMLQSQW-YBEGLDIGSA-N 402.497 3.509 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 169689773 AVSFNVCPZFZDDL-XIUQWWLSSA-N 417.527 3.901 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(C)c2)(c2ccccc2O)N1 587763794 MPRUUBCZLYMDJH-ODXCJYRJSA-N 416.294 3.853 10 1 HHCF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2c(O)ccc3cccnc23)N1 962691901 DRBDVZKLNLVRSQ-KDOFPFPSSA-N 406.335 3.787 10 1 HHCF O=C1C(=Cc2ccc(O)cc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 299865749 UKSHIYSCOTVTNF-UHFFFAOYSA-N 412.445 3.967 10 1 HHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ncc(C)s3)cc2)c1O 103266497 UJWBBTIFSYRHDZ-UHFFFAOYSA-N 405.501 3.579 10 1 HHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 962961793 HCSKAXJSERUYLJ-YGRLFVJLSA-N 419.167 3.574 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587748501 XMIZGDGLTVPUCW-CQLKUDPESA-N 411.227 3.705 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(C)c2)(c2ccccc2O)N1 587763792 MPRUUBCZLYMDJH-FKIZINRSSA-N 416.294 3.853 10 1 HHCF CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587824281 ZINNMIDOKNEOGW-UGZDLDLSSA-N 408.267 4.000 10 1 HHCF CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 1857638510 QUZIKFDBDVRAMQ-QFXLTXBMSA-N 408.406 3.543 10 1 HHCF COCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772627091 HFLSHXNLCMEIHU-KKSFZXQISA-N 416.493 3.706 10 1 HHCF C[C@H]1CN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)C[C@@H](C)O1 1857617084 XLTBLSQEHAZATO-HDICACEKSA-N 418.497 3.922 10 1 HHCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360894 QTZSHPPISSKZRV-APWZRJJASA-N 420.333 3.763 10 1 HHCF COCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798134 XOPWSLIHHFFVAO-JEOXALJRSA-N 410.283 3.943 10 1 HHCF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(O)c1O 587594236 NKSFNGIELHIEMH-IERDGZPVSA-N 410.378 3.524 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587744575 HCPKUKUQROGAKM-AYVTZFPOSA-N 411.227 3.834 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1C[C@@H](C)CC2 4201012 DRIVUZOCVWJTKJ-WYEAJDFLSA-N 403.500 3.511 10 1 HHCF CC(=O)N1CCN(c2ccc(CN(C(=O)Cc3ccccc3)C3CCC3)c(F)c2)CC1 473135855 UICOEUGCZSIEDL-UHFFFAOYSA-N 423.532 3.618 10 1 HHCF COc1ccc(N2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1 1857578504 FBPIXYOACKDHEF-UHFFFAOYSA-N 404.558 3.508 10 1 HHCF Cc1ccc(N(C)C(=O)CCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27555118 RPZFDUHVVLVSMP-HTAPYJJXSA-N 400.519 3.641 10 1 HHCF CN(C)S(=O)(=O)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 29308777 JRGOBMIUUAJJDR-UHFFFAOYSA-N 407.499 3.546 10 1 HHCF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)F)c(=O)c2)nc1 209428306 ONLULGRQDBJIOQ-SJORKVTESA-N 412.440 3.765 10 1 HHCF COCCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 223350955 YHNKZBKLOBLZDM-UUOWRZLLSA-N 412.530 3.957 10 1 HHCF COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O 35079987 UVUWMFHUFRQDTK-UHFFFAOYSA-N 405.370 3.830 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1C[C@H](C)CC2 13154143 DRIVUZOCVWJTKJ-LKWSVKKZSA-N 403.500 3.511 10 1 HHCF Cc1ccc(C)n1-c1cc(C(=O)N2CCc3ccc(C(=O)O)cc3C2)ccc1C(=O)O 219897147 GTTQPIUDDHQNMC-UHFFFAOYSA-N 418.449 3.689 10 1 HHCF COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O 587808904 REJIHXMRXFNVEN-NIVTXAMTSA-N 424.266 3.747 10 1 HHCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc(Br)cc(Cl)c2O)N1 962909196 WEMUVFRVMWYMCN-KBPBESRZSA-N 400.631 3.636 10 1 HHCF COCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798137 XOPWSLIHHFFVAO-WLRWDXFRSA-N 410.283 3.943 10 1 HHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 962961791 HCSKAXJSERUYLJ-QMTHXVAHSA-N 419.167 3.574 10 1 HHCF CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2cc(Br)ccc2O)C1 653718521 USERALAFIAURBX-MRXNPFEDSA-N 409.305 3.975 10 1 HHCF COc1cc(OC)cc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c1 1772592551 LMUWIOQCPCOIBT-LJQANCHMSA-N 407.495 3.957 10 1 HHCF COc1ccc(C(=O)Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1 28765022 LMQYXQDPEXMFDM-UHFFFAOYSA-N 409.530 3.845 10 1 HHCF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO 95878555 QWCAWCVEVWHIFJ-LJGDZFJRSA-N 417.553 3.982 10 1 HHCF COc1cc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O 587807349 NDYMEBLUDMMKBI-DYBLOJMWSA-N 424.266 3.747 10 1 HHCF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)C2 587247393 QVSISGABFJUNNP-AREMUKBSSA-N 423.472 3.690 10 1 HHCF Cc1ccc(NC(=O)OCCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27724197 KEZPWJSQSPIDMD-KKSFZXQISA-N 402.491 3.837 10 1 HHCF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)c(F)c2)SC1=S 96923491 BUHHENSURBKQGD-HEUOVEHFSA-N 405.447 3.862 10 1 HHCF CC(=O)OC[C@@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 14763684 DUFZWMGCTWBGSH-XNISGKROSA-N 408.491 3.755 10 1 HHCF CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26001265 XMCXSVDLAIXLIE-UHFFFAOYSA-N 420.494 3.863 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587746074 IWVMVZSQKBJQSD-VPTHRUTESA-N 411.227 3.834 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 13143685 SZFXIWSPFITWIU-LZPUHMRESA-N 403.500 3.511 10 1 HHCF COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O 95597428 BDVSBDHYOYIIKX-UHFFFAOYSA-N 405.370 3.830 10 1 HHCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)[C@@H]3OC(=O)C(C)C 238761932 WEAUAVYOYHZPNX-HOCONLDDSA-N 408.450 3.784 10 1 HHCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3ccc(C(F)(F)F)cc3)cc(O)c21 1857574131 UGGOPBUNKZYMRM-GOSISDBHSA-N 414.335 3.974 10 1 HHCF CC[C@@H](C)[C@H](Nc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12)C(=O)O 5848646 BNQAVSGRANMVFF-QRWLVFNGSA-N 422.529 3.591 10 1 HHCF Cc1oc2c(c1C(=O)Oc1ccc(Br)cc1)C(=O)c1ncccc1C2=O 1857630613 ABGGEGQCFHLYHH-UHFFFAOYSA-N 412.195 3.740 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCC(C)(C)CO4)C2)cc1 142178812 RTQKXAVOUKBVKT-INIZCTEOSA-N 410.514 3.949 10 1 HHCF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(N4CCOCC4)cc3)oc2c1 169045553 VUMHLSDGAKCABJ-HNNXBMFYSA-N 404.470 3.582 10 1 HHCF COc1ccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(Cl)nc2c1 1772574738 QNDNHTNVMGFPFU-QPEQYQDCSA-N 408.888 3.573 10 1 HHCF Cc1cc(C2=C[C@H](c3ccc(N(C)C)cc3)N(C(=O)c3ccncc3)N2)ccc1O 103197747 KZQIEWPVZOVVQY-JOCHJYFZSA-N 400.482 3.904 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587743220 CRLIKXAAKWTFHB-AYVTZFPOSA-N 411.227 3.834 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 101537617 MYCPMISCHRNPFC-BAWYTYPUSA-N 403.500 3.655 10 1 HHCF CNc1nc2cc(O)c(O)cc2cc1Cc1c(O)nc(C)c2cc(OC)c(OC)cc12 142281199 VBAKTQSOZPALGX-UHFFFAOYSA-N 421.453 3.858 10 1 HHCF Cc1c(Br)cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1C 586947987 AVDAYKIOPASMAZ-UHFFFAOYSA-N 410.293 3.686 10 1 HHCF C[C@H]1Oc2cc(O)c3c(=O)c4c(CCC(C)(C)O)c(O)c(O)cc4oc3c2C1(C)C 13411984 COFHDEMXIJDAST-SNVBAGLBSA-N 414.454 3.825 10 1 HHCF biogenic O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1c(O)ccc2ccccc12 1857621783 BEGFRCPLVIVCPH-UHFFFAOYSA-N 409.239 3.769 10 1 HHCF COc1c(O)c(CNCCc2ccc(O)cc2)c2c3c1-c1ccccc1C[C@@H]3NCC2 2356416716 CHZSTUAZLIMBLJ-QFIPXVFZSA-N 416.521 3.849 10 1 HHCF Nc1n[nH]c(Nc2ccccc2)c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 49111197 JEAARHTZSZPZSO-UHFFFAOYSA-N 423.432 3.763 10 1 HHCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)O)c2ccccc12 261187631 XZXCWRSZJMLMQQ-UHFFFAOYSA-N 424.438 3.995 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586948597 JXATVNJKYIQZDY-UHFFFAOYSA-N 403.407 3.919 10 1 HHCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1Br 963609699 NVGUUZGXDKAMCD-OVWNDWIMSA-N 408.292 3.804 10 1 HHCF CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(N[C@@H](C)C(C)(C)O)nc21 95604701 KVRQIGLXOHJVRC-LBPRGKRZSA-N 418.929 3.950 10 1 HHCF Cc1ccnc2c1CCN[C@@H]2c1cc(C)n(-c2ccc(O[C@H](C)C(=O)O)cc2)c1C 963065372 DGZGIVQGTXGJHO-UZUQRXQVSA-N 405.498 3.885 10 1 HHCF CCOc1cc(Br)cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1O 963021603 GWQSVDFPGKUSCI-WYRIXSBYSA-N 417.303 3.696 10 1 HHCF Cc1cc2c(o1)-c1c(c3ccccc3c(=O)n1CCCN1CCCCC1)C(=O)C2=O 1772632196 TVXSGOQUKDTFAC-UHFFFAOYSA-N 404.466 3.825 10 1 HHCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCc1cccs1 26569298 OFUHACFPESPCSH-UHFFFAOYSA-N 414.571 3.931 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 587413496 RGGLHPQTBLBNFO-ZJSXRUAMSA-N 417.417 3.552 10 1 HHCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccc(Cl)cc3)C2)c(C)c1Cl 299862698 NPBJEMSVASGZBR-AWEZNQCLSA-N 414.314 3.670 10 1 HHCF Cc1cc(C(=O)C(=O)Nc2nnc(-c3cccnc3)s2)c(C)n1-c1ccccc1F 9252056 UFGMLLGDDYLEGA-UHFFFAOYSA-N 421.457 3.968 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 587412644 NRODPOWQAQOKOY-ZEQRLZLVSA-N 417.417 3.709 10 1 HHCF COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c(C)cc(Cl)cc12 587627284 RMMAPKFHXAXGKG-UHFFFAOYSA-N 412.873 3.989 10 1 HHCF CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 64527225 SHVCHMGRIYXVAY-NRFANRHFSA-N 409.599 3.955 10 1 HHCF COc1ccc2c(c1)[C@@](C)(c1cc([N+](=O)[O-])c(NC(C)=O)cc1O)N(C(C)C)CC2 962096577 YPZPRFNHPUTKSI-QFIPXVFZSA-N 413.474 3.797 10 1 HHCF COc1cc(Br)c(O)c([C@@H]2NCCc3cc4cccc(OC)c4nc32)c1 963051220 YDUNSNROUPGOOR-IBGZPJMESA-N 415.287 3.955 10 1 HHCF Cc1c(O)ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963191886 ZUJQYJUSTPJQSH-KPZWWZAWSA-N 415.795 3.941 10 1 HHCF COc1cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c(OC)c(O)c1O 961753926 YVZLUYVGHLPPSK-HNNXBMFYSA-N 406.276 3.645 10 1 HHCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3ccc(C(F)(F)F)cc3)cc(O)c21 1857574132 UGGOPBUNKZYMRM-SFHVURJKSA-N 414.335 3.974 10 1 HHCF CCN1CCN(c2ccc([C@@H]3CC(c4ccc(OC)cc4)=NN3C(C)=O)cc2)CC1 1857586843 IVLOBEPPBDRNDP-DEOSSOPVSA-N 406.530 3.535 10 1 HHCF COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 36401121 OMIPMPIZYDXFMI-UHFFFAOYSA-N 402.859 3.775 10 1 HHCF CO[C@@H]1CN(c2ccc(OCC3CC3)cc2)C[C@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772646500 BJEAOEQKASPXKA-XNWMQKSCSA-N 424.541 3.955 10 1 HHCF COc1cc(/C=C/c2cc3c(c(=O)o2)-c2cc(O)c(O)cc2[C@H](OC)O3)ccc1O 40829199 UZQPGXYTBRUVFG-WTCGPSRQSA-N 410.378 3.640 10 1 HHCF Oc1c([C@H](c2nccn2Cc2ccccc2)N2CCOCC2)ccc2cccnc12 199238168 XWLSXECKVMROSP-JOCHJYFZSA-N 400.482 3.607 10 1 HHCF Cc1ccc(S(=O)(=O)c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 64437048 ILIXUHGYJOVQCH-UHFFFAOYSA-N 420.471 3.608 10 1 HHCF CC(C)=CCc1c(O)c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c12 148106370 WQZVUXSZXOOQQD-UHFFFAOYSA-N 414.454 3.981 10 1 HHCF C[C@H](NC(=O)[C@@H](C)O)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772645682 BTCBAKVOIHWTHO-HOOSLVGPSA-N 424.541 3.691 10 1 HHCF O=C(NCCc1ccc(O)c(O)c1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 103234431 YAHFTCTVTAFUTN-UHFFFAOYSA-N 423.509 3.949 10 1 HHCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(CC(N)=O)cc1 84604062 SOGRLAZFELDAQR-UHFFFAOYSA-N 406.482 3.676 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768480 VIQYYNVGGJPFBV-LHSJRXKWSA-N 418.354 3.964 10 1 HHCF CN1Cc2c(-c3ccc(S(C)(=O)=O)nc3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772632420 CQTIMMHXSUPUFQ-UHFFFAOYSA-N 408.458 3.784 10 1 HHCF CCn1c(=O)cc(C2CC2)c2cc(N3C(=O)[C@H](C)C(=O)N3c3ccccc3)ccc21 1857540433 CUCHLYGDCMLYRV-OAHLLOKOSA-N 401.466 3.830 10 1 HHCF COc1ccc(CCCC(=O)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)nc1 58592831 QJKIZRRPPVBQKY-UHFFFAOYSA-N 411.285 3.716 10 1 HHCF Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1 1772619776 BTSVMVGCYOAAOM-MJGOQNOKSA-N 402.498 3.525 10 1 HHCF COc1cc(C=Cc2cc3c(c(=O)o2)-c2cc(O)c(O)cc2[C@H](OC)O3)ccc1O 2356652927 UZQPGXYTBRUVFG-JOCHJYFZSA-N 410.378 3.640 10 1 HHCF COc1ccc(N2CCN(C[C@H]3OCCCc4cc(OC)c(OC)cc43)CC2)cc1 27727028 RQJZFACWKNNJDL-XMMPIXPASA-N 412.530 3.539 10 1 HHCF CO[C@@H]1CN(c2ccc(OCC3CC3)cc2)C[C@@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772646499 BJEAOEQKASPXKA-AJHZIAPWSA-N 424.541 3.955 10 1 HHCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O 35013094 SAGMUMUSIBKNKJ-FQEVSTJZSA-N 402.410 3.995 10 1 HHCF COc1ccc(S(=O)(=O)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586919973 BHLDBSVFHFDSHF-UHFFFAOYSA-N 409.467 3.920 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768484 VIQYYNVGGJPFBV-SZNDQCEHSA-N 418.354 3.964 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C(C)(C)OC)cc3)C2)cc1 142285480 IGFRRGMQGDMBCN-KRWDZBQOSA-N 412.530 3.955 10 1 HHCF Cc1nc2c(C(=O)NCc3ccccc3)cnn2c(O)c1Cc1ccccc1Cl 6824882 VHPUIWSRZBMFFU-UHFFFAOYSA-N 406.873 3.918 10 1 HHCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12 111386976 XZXCWRSZJMLMQQ-DQRAZIAOSA-N 424.438 3.995 10 1 HHCF CCCCC[C@@H](O)c1c(O)cc2c(c1O)C(=O)c1c(OC)cc(OC)cc1C2=O 2356793795 KSKJJWCGJXBURK-CQSZACIVSA-N 400.427 3.504 10 1 HHCF CNC(=O)c1cccc2c(Nc3cc(N)cc(CO)c3)c3cccc(OC)c3nc12 27524436 PSMDFMDTOLOTCM-UHFFFAOYSA-N 402.454 3.574 10 1 HHCF O=C(c1cccc(-n2cccn2)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295670 TWIBJRRRYBAZFC-QFIPXVFZSA-N 409.449 3.964 10 1 HHCF CSc1ccccc1[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)NCc1ccc(N)cc1 117854951 TVKLFQICQPFXPX-KXBFYZLASA-N 412.559 3.542 10 1 HHCF COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(N)cc2)CC1 40423861 CAUYUEPZSQLJNS-JOCHJYFZSA-N 402.510 3.614 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CCOC4)cc3)C2)cc1 1772624868 ZYLYHFYXEHVBQZ-JVFUWBCBSA-N 424.541 3.957 10 1 HHCF CCOC(=O)[C@H](C)Oc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 29342199 QIGPKGWJCHRVAS-JTQLQIEISA-N 412.269 3.719 10 1 HHCF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cncc(Cl)c2)c1O 169312527 NXPXKHAPCXLXCI-FMQUCBEESA-N 403.811 3.719 10 1 HHCF CCOC(=O)COc1ccc(C(=O)c2cc(C)c(O)c(CN)c2)c(Cl)c1Cl 29346893 FQXIPYSKUFXRSK-UHFFFAOYSA-N 412.269 3.639 10 1 HHCF Cc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 53226557 OILJPXPSZBLIJV-UHFFFAOYSA-N 400.434 3.916 10 1 HHCF CCc1cc(O)nc(SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)n1 586966716 LWJRJHSKAHBRJU-UHFFFAOYSA-N 416.462 3.689 10 1 HHCF COC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587803722 BQSWTLZSGWLRAN-GIGQVBGESA-N 408.267 3.878 10 1 HHCF CCCn1c(O)c(/N=N/C(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21 101799876 AMYRUXAJQVBFNJ-OCOZRVBESA-N 408.458 3.735 10 1 HHCF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)C2 587247394 QVSISGABFJUNNP-SANMLTNESA-N 423.472 3.690 10 1 HHCF COc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(O)c1 962926795 VFZSXNUYQXIJEA-XUZZJYLKSA-N 421.449 3.761 10 1 HHCF COc1ccccc1NS(=O)(=O)c1cc2c(CN=[N+]=[N-])cc(=O)oc2cc1C 49124552 IYSGPUOWESNOMB-UHFFFAOYSA-N 400.416 3.721 10 1 HHCF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(N2CCN(C)CC2)cc1Cl 963609394 NFHNOGJKCRKZQC-NPMXOYFQSA-N 415.965 3.733 10 1 HHCF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)OCCCO4)C2)cc1 1772637152 ZMMKLBCPNOKTAG-DYESRHJHSA-N 410.514 3.745 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3ccc(C(F)(F)F)n3)[nH]c21 587118857 RJGHBGIKEHTOTP-UHFFFAOYSA-N 410.355 3.796 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 587766440 NHQXZYBFEAXQJN-SZNDQCEHSA-N 418.354 3.796 10 1 HHCF COCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587792914 LWDWZMJFUMBDOR-JEOXALJRSA-N 410.283 3.943 10 1 HHCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2SCc1ccccc1 34203198 YYEFTOIQHQHUQZ-BDTNDASRSA-N 412.463 3.978 10 1 HHCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@H]1CC=C[C@@H]21 587277219 QTEXHSKHGHJRPA-NRUUGDAUSA-N 412.500 3.973 10 1 HHCF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O 587807790 NLEGFURYGJHOPS-ANRSDYALSA-N 412.255 3.640 10 1 HHCF O=C1Nc2cc(N3CCOCC3)ccc2[C@]12NCCc1cccc(-c3ccccc3)c12 962670241 QJLONXZFJYLHLQ-AREMUKBSSA-N 411.505 3.532 10 1 HHCF CC1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 4847690 YOUVSYQBNNLMQM-JOCHJYFZSA-N 408.525 3.748 10 3 HHCF CCCC(=O)O[C@@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49073039 CATZELKZCWQOCF-ZCFIWIBFSA-N 403.796 3.720 10 1 HHCF COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 73258244 MJHUJOUZLYEWDE-PQAIFJIUSA-N 406.483 3.519 10 1 HHCF Cc1cc(F)cc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963134240 DJJOTYXIHIPMQW-KBPBESRZSA-N 408.451 3.632 10 1 HHCF COc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@@H](c3cc(Cl)ccc3O)C2)cc1 299868598 RWSJCMXLSFELTC-LJQANCHMSA-N 410.861 3.629 10 1 HHCF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(Br)c(O)cc2O)N1)C(F)(F)F 962732136 XDRCUCKNZMKTIT-WFASDCNBSA-N 416.193 3.595 10 1 HHCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1Br 963609696 NVGUUZGXDKAMCD-DGIBIBHMSA-N 408.292 3.804 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 13153203 MYCPMISCHRNPFC-GWVSUILGSA-N 403.500 3.655 10 1 HHCF O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O 103264322 QZDNXDHEQFHCAA-DAIOKFOQSA-N 413.426 3.994 10 1 HHCF CCOC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 29342196 QIGPKGWJCHRVAS-SNVBAGLBSA-N 412.269 3.719 10 1 HHCF O=C(O)CSc1ncccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 586967953 HLEGDEYAYAHOHU-UHFFFAOYSA-N 415.430 3.577 10 1 HHCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360897 QTZSHPPISSKZRV-QFBILLFUSA-N 420.333 3.763 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587740452 JZRSLBHTMABHLK-YBTHPKLGSA-N 423.326 3.859 10 1 HHCF O=C(O)c1cccnc1SCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586967771 DNGYPDGLRQBANR-UHFFFAOYSA-N 415.430 3.724 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587744213 GJBFJVDWGCSTED-WNWIJWBNSA-N 411.227 3.705 10 1 HHCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(N)=O)c2)o1 40936068 PFCPRXPGHXXNLR-UNOMPAQXSA-N 415.405 3.550 10 1 HHCF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356822034 FRIRHJVKXFYECW-ZXNJRYPPSA-N 404.547 3.865 10 1 HHCF C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc21 169339476 SIFOOVWKUYQDRN-UHFFFAOYSA-O 423.474 3.841 10 1 HHCF COc1cccc(-n2ncc3c(/N=N/Cc4cccc(S(C)(=O)=O)c4)ncnc32)c1 169685262 NZBIDKMWCLSREQ-WJTDDFOZSA-N 422.470 3.512 10 1 HHCF CC(=O)c1ccc2c(c1)[C@H](c1cc(O)cs1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962631729 QSVZMVWPCRMSGX-FUHWJXTLSA-N 417.483 3.992 10 1 HHCF C[C@@H](CCCCCNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccc(O)c(O)c1 27729689 DZEFSBVJMODQSH-HTAPYJJXSA-N 416.518 3.596 10 1 HHCF O=Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 13582466 QJAPFMHRCXYIEW-UHFFFAOYSA-N 419.525 3.897 10 1 HHCF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O 587438592 HCAZNQBBOWBJRE-ZNNSBPNOSA-N 417.461 3.896 10 1 HHCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C2CC2)nc1 1772641700 LRAKVMNTJYJNSF-AEFFLSMTSA-N 418.497 3.614 10 1 HHCF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCO)c4ccccc34)[C@H]21 1772623652 NIKXNKCULVCANR-DEOSSOPVSA-N 419.525 3.577 10 1 HHCF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(C)n1-c1ccc(N(C)C)cc1 962905345 PJCLNAPHCUCMCP-XZOQPEGZSA-N 407.489 3.988 10 1 HHCF O=S(=O)(Nc1cn(CC2CCC2)cn1)c1cc(Br)cc(Cl)c1O 1911572307 VHXYZRGTMOTLLX-UHFFFAOYSA-N 420.716 3.606 10 1 HHCF CSc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)NCc1ccc(N)cc1 117854948 TVKLFQICQPFXPX-DNVCBOLYSA-N 412.559 3.542 10 1 HHCF CCOc1cc(-c2cccc(F)c2)nn1[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O 587872299 TUHWFPMDDZCJDV-NRFANRHFSA-N 400.406 3.542 10 1 HHCF COc1cccc2cc3c(nc12)[C@@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)NCC3 963067712 OEQCOTKUSORZKP-JOCHJYFZSA-N 402.458 3.901 10 1 HHCF COc1cc(OC)c(C(=O)c2ccccc2Br)c(O)c1CN1CCCC1 49072643 OABYAGIMRITJGD-UHFFFAOYSA-N 420.303 3.999 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 587413490 RGGLHPQTBLBNFO-QPPBQGQZSA-N 417.417 3.552 10 1 HHCF CCO/C(O)=C1\C(COCCN=[N+]=[N-])=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1F 29405288 SGIOOGWCZBAOHC-DMEQXSTQSA-N 418.425 3.944 10 1 HHCF Oc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 12356364 ZGRIICNJMQCNJE-UHFFFAOYSA-N 407.514 3.790 10 1 HHCF COc1cc(C[C@H]2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC 13449129 BHLICJAYUSKMQT-CYBMUJFWSA-N 413.392 3.572 10 1 HHCF Oc1cc(Br)c(CCc2cc(O)c(O)cc2Br)cc1O 64512515 YGXJWTJUEMFNHI-UHFFFAOYSA-N 404.054 3.819 10 1 HHCF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 587586438 CFWIIEFEOOHJPO-JPYJTQIMSA-N 418.405 3.865 10 1 HHCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccccc3Cl)C2)c(C)c1Cl 299865499 UBOZUAKXKUHRLM-CQSZACIVSA-N 414.314 3.670 10 1 HHCF COc1cc2c(cc1O)CCN1[C@@H](Cc3ccc(O)cc3)c3cc(O)c(O)cc3C[C@@H]21 14443934 YPWAKZWXYJJUFO-SFTDATJTSA-N 419.477 3.957 10 1 HHCF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768100 STXRZMAFFPBRFA-LHSJRXKWSA-N 418.354 3.964 10 1 HHCF COC(=O)Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805478 HDTWRJJEQFCYBD-OVWNDWIMSA-N 408.267 3.633 10 1 HHCF COc1cc(C[C@@H]2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC 13449126 BHLICJAYUSKMQT-ZDUSSCGKSA-N 413.392 3.572 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 587740448 JZRSLBHTMABHLK-GIPWTMENSA-N 423.326 3.859 10 1 HHCF O=C(CNC(=O)Cc1ccccc1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 15880063 LOSNTOQAZBMGRR-FCQUAONHSA-N 415.247 3.605 10 1 HHCF CN1CCN(c2ccc([C@H]3C=C(NCCN4CCCC4)c4ccccc4N3)cc2)CC1 101079211 LQSNPBRTWZPHNH-RUZDIDTESA-N 417.601 3.632 10 1 HHCF COc1ccc(N(CCCCCO)Cc2cc(OC)c(OC)c(OC)c2)cc1O 27753205 PQRGQOOTVFZTIW-UHFFFAOYSA-N 405.491 3.596 10 1 HHCF Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NC1CCCC1 1857563321 OSGCNYMJDFKCJT-UHFFFAOYSA-N 403.954 3.537 10 1 HHCF Cc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(O)c1Cc1ccccc1F 9597699 KRYAQCRCQIVLLW-UHFFFAOYSA-N 408.408 3.542 10 1 HHCF O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 13678247 QWPYEBVOXWTOGK-UHFFFAOYSA-N 400.765 3.533 10 1 HHCF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(O)c1O 587594235 NKSFNGIELHIEMH-HRAATJIYSA-N 410.378 3.524 10 1 HHCF COc1c2n(C)ccc3c4cc(O)ccc4n4c3c-2c(c1=S(C)[O])C[C@H]4NC(C)=O 2356812390 KJEATNDXTWITDW-ZRYJOUNDSA-N 424.502 3.919 10 1 HHCF CN1C[C@H](c2ccccc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169402858 GTKCKHNVQYQHTP-ATIYNZHBSA-N 407.469 3.959 10 1 HHCF O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 103287746 WRBDJPQHAWJMOG-UKRRQHHQSA-N 409.181 3.957 10 1 HHCF COc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(O)c1 962926771 VFZSXNUYQXIJEA-URXFXBBRSA-N 421.449 3.761 10 1 HHCF O=C(NCc1ccc(O)cc1O)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 84615332 DHXXJPGHCYCRET-UHFFFAOYSA-N 409.482 3.907 10 1 HHCF COc1cccc(NS(=O)(=O)c2ccc(NCc3cccc(OC)c3O)cc2)c1 103266509 QPTOKTRSIHJQGV-UHFFFAOYSA-N 414.483 3.822 10 1 HHCF COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O 587807355 NDYMEBLUDMMKBI-NIVTXAMTSA-N 424.266 3.747 10 1 HHCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(Cl)cc(Br)c2O)N1 962906204 XHKPSFJGXVRLSM-GXTWGEPZSA-N 400.631 3.636 10 1 HHCF CC(C)C(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49068040 VXKSFHAKXZVXGU-LURJTMIESA-N 403.796 3.576 10 1 HHCF O=C(CNC(=O)c1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 253916105 YIIXRAGHLUGBCW-UHFFFAOYSA-N 401.220 3.676 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@@H]1CC=C[C@@H]21 587277403 VJAUKTKFURUCHO-ZNLKAECVSA-N 417.425 3.937 10 1 HHCF CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12 13683962 FEVVPVBYXNYVJL-UHFFFAOYSA-N 423.513 3.660 10 1 HHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(N2CCN(C)CC2)cc1Cl 963609245 NFHNOGJKCRKZQC-CMJOXMDJSA-N 415.965 3.733 10 1 HHCF Nc1ccc(S(=O)(=O)Nc2nccs2)cc1N=Nc1ccccc1[N+](=O)[O-] 254005606 JJVRPICUGFLOHL-UHFFFAOYSA-N 404.433 3.850 10 3 HHCF O=C(O)CN1C(=O)/C(=C/c2csc3ccc(Br)cc23)SC1=S 62233416 FTGDEGHLFLATCJ-JYOAFUTRSA-N 414.327 3.950 10 1 HHCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O 587805885 IBMOISUATNYSHK-VXJOIVPMSA-N 412.255 3.640 10 1 HHCF COc1ccc(C[C@]2(c3ccc(OC)cc3O)NCCc3c2c(C(C)C)nn3C)cc1 962915544 AJRBWVSWPKWWCI-RUZDIDTESA-N 421.541 3.898 10 1 HHCF CN(C)c1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 45188784 CVJOGWXVANCDDS-HXUWFJFHSA-N 406.446 3.564 10 1 HHCF C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587519205 WQXFGVVOMYYUFU-VWLOTQADSA-N 407.510 3.984 10 1 HHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587761582 QDJOEMFZIGULNA-NSPYISDASA-N 419.294 3.733 10 1 HHCF Cc1ccc(NC(=O)OCCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27724205 KEZPWJSQSPIDMD-IERDGZPVSA-N 402.491 3.837 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 587776661 XVDWFCKQAQGTHD-FKIZINRSSA-N 421.310 3.754 10 1 HHCF Cc1ccc(NC(=O)OCCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27724184 KEZPWJSQSPIDMD-HRAATJIYSA-N 402.491 3.837 10 1 HHCF COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1ccccc1C3=O 40829412 WCXZLHWCYSIGPR-UHFFFAOYSA-N 415.449 3.517 10 1 HHCF CC=C[C@@H](O)[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356384823 CRCKMDDPCOAZQX-IUODEOHRSA-N 404.418 3.623 10 1 HHCF O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1C1CCOCC1 84620097 QIVOVENEXBLAOI-JYRVWZFOSA-N 400.319 3.535 10 1 HHCF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O 587742824 UDUGRHAYRMDWSF-JEOXALJRSA-N 423.326 3.988 10 1 HHCF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587743848 FOLHXYNSOFKKKF-PWJLMRLQSA-N 411.227 3.834 10 1 HHCF COc1cc(CCC(=O)C[C@@H](O)CC2(c3ccc(O)c(O)c3)CCCC2)ccc1O 2356774918 GAMFINWPKFZKCJ-LJQANCHMSA-N 414.498 3.967 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275336 CCSYKUGQKRCWKD-MDOVXXIYSA-N 414.429 3.582 10 1 HHCF CN1CCN(c2ccc3c(c2)CN(c2csc(-c4ccncc4)n2)C(=O)N3)CC1 14974687 HYQOGRUXBWHQDQ-UHFFFAOYSA-N 406.515 3.509 10 1 HHCF COc1cc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962977357 OVGNZKYDBSPIFI-SGTLLEGYSA-N 418.223 3.848 10 1 HHCF CN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1 84671477 ZOFRJDJCYYYZFX-UHFFFAOYSA-N 407.543 3.538 10 1 HHCF CC(=O)N1CCN(c2ccc(CN(C(=O)c3ccccc3)C3CCC3)c(F)c2)CC1 473135652 QTWIISLMOZEGDC-UHFFFAOYSA-N 409.505 3.689 10 1 HHCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@H]2[C@@H]1O 2356372403 DNYUJRBZNAHXRM-BZHUUFARSA-N 410.466 3.840 10 1 HHCF C[C@@]1(c2cc(CC(=O)CCc3ccc(O)c(O)c3)ccc2F)CCSC(N)=N1 96172059 GDBIYNDNGDHYLJ-NRFANRHFSA-N 402.491 3.648 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 169689770 AVSFNVCPZFZDDL-RAZVHJQOSA-N 417.527 3.901 10 1 HHCF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C=[N+]=[N-])CC(=O)c2ccc3c(c2O1)CCCC3 587507906 DARQAKHWKCQKER-XXBNENTESA-N 411.502 3.970 10 1 HHCF COc1cccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c1OC 1772572179 QRRDMGBPKXDLQQ-QGZVFWFLSA-N 407.495 3.957 10 1 HHCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@@H]2[C@@H]1O 2356372402 DNYUJRBZNAHXRM-AJYZATQSSA-N 410.466 3.840 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1C[C@H](C)CC2 195484401 DRIVUZOCVWJTKJ-BQJFBPGXSA-N 403.500 3.511 10 1 HHCF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 299859540 IEAVWNZTULHOCG-SFHVURJKSA-N 423.567 3.794 10 1 HHCF O=C1c2cc(O)ccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911586663 JZHIZGJVILOKEY-UHFFFAOYSA-N 421.334 3.833 10 1 HHCF CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1 299836868 NWNKAJGVSLONKZ-UHFFFAOYSA-N 423.538 3.826 10 1 HHCF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(S(C)(=O)=O)cc4)ncnc32)c1 169685263 WNMDAXFTHKOVIF-WJTDDFOZSA-N 422.470 3.512 10 1 HHCF CCN1CCN(Cc2cc(-c3ccc([C@@H](C)C(=O)OC)cc3F)ccc2O)CC1 1857542698 SMZNUBJTOWZJDQ-MRXNPFEDSA-N 400.494 3.612 10 1 HHCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 28766191 ZDJKPTSVPRZPBG-UHFFFAOYSA-N 424.501 3.744 10 1 HHCF COC(=O)CCS[C@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 28950848 LGPDZWWXJIUPQW-NRFANRHFSA-N 417.483 3.673 10 1 HHCF CC(C)CN(Cc1ccc(N2CCC[C@@H](O)C2)cc1)S(=O)(=O)Cc1ccccc1 1772631054 IEUJMRRRARWENG-HSZRJFAPSA-N 416.587 3.636 10 1 HHCF Cc1c(CC(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 45338148 LJDGSNSMSUKBRC-UHFFFAOYSA-N 405.422 3.762 10 1 HHCF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(O)c1O 587594237 NKSFNGIELHIEMH-IIBYNOLFSA-N 410.378 3.524 10 1 HHCF CCc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 66065928 OEEJYMAIKRMZLF-UHFFFAOYSA-N 422.462 3.597 10 1 HHCF C[C@H]1C(=O)c2c(c(C(C)(C)[C@@H](C)O)c3c(-c4ccccc4)cc(=O)oc3c2O)C1=O 2356416827 HFAYPAPFNRWYPI-VXGBXAGGSA-N 406.434 3.839 10 1 HHCF CN1C[C@@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84668556 GTKCKHNVQYQHTP-NVQXNPDNSA-N 407.469 3.959 10 1 HHCF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c1 586937148 WGEXOVNHRUADGO-UHFFFAOYSA-N 411.487 3.619 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587759177 FBWFYHICZVYXOW-WLRWDXFRSA-N 419.294 3.733 10 1 HHCF C/C=C/C[C@](C)(O)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 14517598 IVVXCIFNKDZFST-JVPDDCAZSA-N 404.418 3.756 10 1 HHCF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 15937480 LXVJSAUZIZXMTA-LJQANCHMSA-N 424.501 3.712 10 3 HHCF C1=CC=C2NCCSCC/N=C3\C=CC=CC=C3NCCSCC/N=C/2C=C1 73370802 RGLZGXHYJBKLCU-CTWPWMDCSA-N 412.628 3.547 10 1 HHCF COc1ccc(OC)c([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)c1 1772617062 UYCPBPPHOQMIPK-OAQYLSRUSA-N 403.438 3.796 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N3)O2 587399287 IAWXCCCYWFHOGL-VFXUNUEYSA-N 404.466 3.996 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587759175 FBWFYHICZVYXOW-NSPYISDASA-N 419.294 3.733 10 1 HHCF O=C(Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2O)CC1)c1cccnc1 12437554 PPSSCWYHDDOGFK-UHFFFAOYSA-N 411.893 3.727 10 3 HHCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C)CCN(CC)CC)c1 5886854 PRAXXWIIJXOUMQ-OCEACIFDSA-N 404.950 3.796 10 1 HHCF Oc1cc2c(c(Br)c1O)COCc1cc(O)c(O)c(Br)c1-2 29042331 ZRGSUBOWCSFYON-UHFFFAOYSA-N 418.037 3.731 10 1 HHCF biogenic Fc1ccc(-c2cc3c(o2)-c2nncn2-c2ccc(N4CCNCC4)cc2C3)cc1 73224227 ZCXYZALUIUCPGT-UHFFFAOYSA-N 401.445 3.647 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768482 VIQYYNVGGJPFBV-QKKBWIMNSA-N 418.354 3.964 10 1 HHCF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O 587739920 IMBCWTJEZPUQNK-NSPYISDASA-N 423.326 3.988 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587744769 FOXRRULDIMSLLV-BCTVWOGZSA-N 411.227 3.834 10 1 HHCF COC(=O)CCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2 95585492 MHXYZQLIOYGIQN-UHFFFAOYSA-N 412.239 3.539 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 587412358 NRODPOWQAQOKOY-DNQXCXABSA-N 417.417 3.709 10 1 HHCF COc1cc(O)c([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962977358 OVGNZKYDBSPIFI-XIKOKIGWSA-N 418.223 3.848 10 1 HHCF CC(C)=CCc1c(O)c(O)c2oc3cc(O)cc(O)c3c(=O)c2c1CCC(C)(C)O 238782736 XMVZJDCFPNXNMK-UHFFFAOYSA-N 414.454 3.981 10 1 HHCF O=C(NC1CCC2(CC1)OCC1(O2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 473126189 ZRRGTDQZKCKQQC-UHFFFAOYSA-N 413.514 3.708 10 1 HHCF O=S(=O)(Nc1cc(C2CCCC2)[nH]n1)c1cc(Br)cc(Cl)c1O 1911580346 FGOJVAFRJXBUNV-UHFFFAOYSA-N 420.716 3.990 10 1 HHCF NC(=S)Nc1cccc(OCCCCCOc2ccc(N3CCOCC3)cc2)c1 40957659 SWDVGOZNXXYNII-UHFFFAOYSA-N 415.559 3.807 10 1 HHCF CCN1C(=O)N(c2ccccc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O 473109184 QNPISFSVSSBPLH-UHFFFAOYSA-N 413.905 3.869 10 1 HHCF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586947124 UAPMUNVUNNRLHI-UHFFFAOYSA-N 422.510 3.631 10 1 HHCF CCc1ccc2nc([C@H](c3ccc(O)c(O)c3)n3cc(CCN(C)C)nn3)sc2c1 1857632595 YNAVOVQGVNIQFT-NRFANRHFSA-N 423.542 3.603 10 1 HHCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CN3CCOCC3)c1)CC2=O 587473650 AXZIAFFKJUNYQS-DEOSSOPVSA-N 411.498 3.763 10 1 HHCF COc1cc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O 587807358 NDYMEBLUDMMKBI-YYSFKGJASA-N 424.266 3.747 10 1 HHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 587412355 NRODPOWQAQOKOY-BJKOFHAPSA-N 417.417 3.709 10 1 HHCF COc1ccc(C=O)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1OC 587799548 ZZWPACFSVGZYNK-UHFFFAOYSA-N 412.401 3.835 10 1 HHCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O 587807791 NLEGFURYGJHOPS-AYVTZFPOSA-N 412.255 3.640 10 1 HHCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2c(O)ccc(Br)c2Cl)N1 962896263 BEGISYVVIDIMPA-BONVTDFDSA-N 400.631 3.636 10 1 HHCF C[C@@H]1CC[C@@H]2[C@H](C=C[C@](C)(O)[C@@]2(C)C(=O)CCOC(=O)Cc2ccc(O)c(O)c2)C1 2356817178 DIKUSSDEPBGHAT-NEBPJVMRSA-N 416.514 3.522 10 1 HHCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)c(F)c2)cc1 1857578422 ONLUGUMUKZHJAF-DLBZAZTESA-N 409.427 3.530 10 1 HHCF O=C(CCc1ccccc1)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 72136078 UXESLRVWWAYNKK-UHFFFAOYSA-N 401.514 3.733 10 3 HHCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O 587739922 IMBCWTJEZPUQNK-WYRIXSBYSA-N 423.326 3.988 10 1 HHCF COC(=O)c1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812473 ZLXIQPVYZVRMGJ-DGIBIBHMSA-N 408.267 3.878 10 1 HHCF Cc1ccc(C)n1-c1cc(-c2nnc(-c3ccc(O)c(O)c3O)o2)ccc1C(=O)O 1857601597 SSRSUDDIGLSEPX-UHFFFAOYSA-N 407.382 3.626 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 101788880 AVSFNVCPZFZDDL-ZJVPAZETSA-N 417.527 3.901 10 1 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccnnc4)cc3)C2)cc1 142343681 QHOGOHOHBBWLHQ-KRWDZBQOSA-N 418.497 3.634 10 1 HHCF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 299859537 IEAVWNZTULHOCG-GOSISDBHSA-N 423.567 3.794 10 1 HHCF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccccc1[N+](=O)[O-] 49035090 BROYTGUYFFVBKW-UHFFFAOYSA-N 415.387 3.621 10 1 HHCF O=[N+]([O-])c1cnc(Sc2nnc(Sc3ncc([N+](=O)[O-])s3)s2)s1 40979536 QYKQHNTWQJPQOZ-UHFFFAOYSA-N 406.477 3.570 10 1 HHCF COC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587803422 ALTREEAOLPSPJE-GIGQVBGESA-N 408.267 3.878 10 1 HHCF COCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798139 XOPWSLIHHFFVAO-WYRIXSBYSA-N 410.283 3.943 10 1 HHCF CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587822717 QIRXGRZUVUEGGY-HOGDKLEQSA-N 408.267 4.000 10 1 HHCF Cc1c(O)ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963191888 ZUJQYJUSTPJQSH-KZULUSFZSA-N 415.795 3.941 10 1 HHCF COc1ccc2c(c1)CCCN2CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1857534773 IBSWJWMUUPNQCB-UHFFFAOYSA-N 413.949 3.840 10 1 HHCF CC(=O)NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCC(C)CC1 587233735 BSFHGCKKAPKJQA-UHFFFAOYSA-N 401.466 3.880 10 1 HHCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587747961 SZFHQMVHKIHGBQ-PWJLMRLQSA-N 411.227 3.834 10 1 HHCF CCN(CC)CCCCNC(=O)c1ccc2nnc3c(c2c1)C(=O)c1ccccc1-3 1772609966 ALBZYBGFIMHXER-UHFFFAOYSA-N 402.498 3.693 10 1 HHCF Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3O)C[C@@H]2c2ccccc2O)cc1 45336659 CWJNPCVTRABPHC-HXUWFJFHSA-N 408.479 3.946 10 1 HHCF O=C(CN1CCN(Cc2ccccc2Cl)CC1)/N=N\c1c(O)[nH]c2ccccc12 22867244 JYMXQZPCLYVXNZ-IZHYLOQSSA-N 411.893 3.955 10 1 HHCF COc1cc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O 587807354 NDYMEBLUDMMKBI-LZVRBXCZSA-N 424.266 3.747 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc4c(cc3F)OCCCO4)C2)cc1 1772624239 BQYIKOFKDONVNP-KXBFYZLASA-N 414.477 3.842 10 1 HHCF Cc1ccc(-n2cc(COc3ccc(/C=C4\SC(=S)NC4=O)cc3)nn2)cc1 1857555275 TUALLEZRBWTMMQ-ZDLGFXPLSA-N 408.508 3.644 10 1 HHCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356822033 FRIRHJVKXFYECW-XUTVESAXSA-N 404.547 3.865 10 1 HHCF Oc1ccc(CCNC(=S)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)cc1 29131756 BNUSCACZQXCTMI-UHFFFAOYSA-N 413.326 3.586 10 1 HHCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 118214986 RJEZPCQRPMONLN-UHFFFAOYSA-N 417.830 3.675 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587277216 QTEXHSKHGHJRPA-BREBYQMCSA-N 412.500 3.973 10 1 HHCF COc1cc(OC)c2nc3ccccc3c(NCCC[N+](C)(C)[O-])c2c1[N+](=O)[O-] 26501801 PLFOKKFRJHAPLG-UHFFFAOYSA-N 400.435 3.690 10 1 HHCF COC(=O)CCS[C@@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 28950850 LGPDZWWXJIUPQW-OAQYLSRUSA-N 417.483 3.673 10 1 HHCF COc1cccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(N)=S)c1OC 1772633115 DBARUCQMQFTIEJ-SFHVURJKSA-N 407.495 3.957 10 1 HHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cn[nH]c2)cc1 72125077 GTWAQQXOSKGKBK-UHFFFAOYSA-N 414.465 3.959 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 587766422 NHQXZYBFEAXQJN-LHSJRXKWSA-N 418.354 3.796 10 1 HHCF COc1c(O)c(O)cc2c1CC[C@@H]1[C@@H]2O[C@@H]2C[C@H](c3ccc(O)cc3)CC[C@H]2[C@H]1O 2356729587 SOMVMWASPGNDQA-SIUNPETNSA-N 412.482 3.759 10 1 HHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 586947732 CLRVYVHVASVZKZ-UHFFFAOYSA-N 407.451 3.538 10 1 HHCF C[C@H](C(N)=O)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845991 BOJVCGVPPWOSML-CQSZACIVSA-N 420.494 3.747 10 1 HHCF CCOC(CCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2)OCC 95583096 PZZBCDFKXJXGAI-UHFFFAOYSA-N 422.437 3.910 10 1 HHCF COc1cc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O 587808902 REJIHXMRXFNVEN-DYBLOJMWSA-N 424.266 3.747 10 1 HHCF COc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(C)cc3)NC2=O)cc1 64510259 XUSOWBXYEMSKEL-CJLVFECKSA-N 411.461 3.979 10 1 HHCF O=C(O)c1ccccc1Nc1ccc(OCCCCCP(=O)(O)O)cc1C(=O)O 584905385 HYMLLKWKTLKWNS-UHFFFAOYSA-N 423.358 3.553 10 1 HHCF in-vitro O=C(CCc1ccc(O)c(O)c1)NCCc1cc(O)cc(OCc2ccccc2)c1 1650623 DUWUHECAAPSYBK-UHFFFAOYSA-N 407.466 3.674 10 1 HHCF O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3cc2Br)SC1=S 13782021 UBZKWBJESVGSFS-QPEQYQDCSA-N 408.298 3.888 10 1 HHCF COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(OC)c1O 587785999 QYGOKWXHSYJQJT-UHFFFAOYSA-N 400.390 3.728 10 1 HHCF Cc1c(O)ccc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1O 963185126 KLQAMECFUDUXSJ-IAQYHMDHSA-N 401.768 3.767 10 1 HHCF C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 1857589184 BNAUPWAOLQXQJZ-PNHOKKKMSA-N 405.464 3.952 10 1 HHCF COc1cccc(-c2c(F)cc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2F)c1 1911584725 MBRGIUONQXHXCP-UHFFFAOYSA-N 417.371 3.997 10 1 HHCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 35079966 FQDYRTACDWAHEM-UHFFFAOYSA-N 405.370 3.830 10 1 HHCF C/C(=C\c1ccccc1)C[C@H]1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 16051792 UKJRRVJSDMEEHV-ABDJAZHISA-N 418.565 3.602 10 1 HHCF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)cc2)N1 587767160 QRVFFQQNMMQODY-ZUOKHONESA-N 404.327 3.621 10 1 HHCF CCc1ccc2cc([C@@H](c3ccc(O)c(O)c3)n3cc(CCN(C)C)nn3)oc2c1 1857635606 RTDQZVVHCNUGPV-HSZRJFAPSA-N 406.486 3.740 10 1 HHCF N[C@@H](Cc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)C(=O)O 5162755 ZMVUXJCNEMOWSY-SFHVURJKSA-N 402.410 3.994 10 1 HHCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O 587805876 IBMOISUATNYSHK-ANRSDYALSA-N 412.255 3.640 10 1 HHCF COCCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 223350894 YHNKZBKLOBLZDM-MHECFPHRSA-N 412.530 3.957 10 1 HHCF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(Cl)cc3)CC2)cc1 95573224 ITJYLWCHOYHMQB-FQEVSTJZSA-N 403.910 3.697 10 1 HHCF C[C@@H]1CC[C@@H]2[C@H](C=C[C@](C)(O)[C@]2(C)C(=O)CCOC(=O)Cc2ccc(O)c(O)c2)C1 2356817179 DIKUSSDEPBGHAT-NWGCAHMPSA-N 416.514 3.522 10 1 HHCF Cc1c(/N=[N+](\[O-])c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 30730756 XDCFBFUDTDVION-NXVVXOECSA-N 406.267 3.862 10 1 HHCF in-vitro COc1ccc(O)c(CN2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)c1 67690624 UMCHMIPSWMJUJU-UHFFFAOYSA-N 422.481 3.875 10 1 HHCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2c(O)ccc(Br)c2Cl)N1 962896267 BEGISYVVIDIMPA-ZUZCIYMTSA-N 400.631 3.636 10 1 HHCF C[C@H](NC(=O)C1CC(F)C1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149951956 CJEWFDQCNBLYGX-IJNIYJAUSA-N 410.489 3.987 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@H]1CC=C[C@H]21 587277401 VJAUKTKFURUCHO-BYVOGVQKSA-N 417.425 3.937 10 1 HHCF CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc21 6717467 PPDBSTXFUQGCGT-UHFFFAOYSA-N 419.573 3.884 10 1 HHCF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N4)[C@@H](C2)C3=O 587438588 HCAZNQBBOWBJRE-LQOKTANOSA-N 417.461 3.896 10 1 HHCF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c(OC)c1 1772644370 NDLAJCQFRPBLQO-GOSISDBHSA-N 407.495 3.957 10 1 HHCF COc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1cc(Cl)ccc1S2 22460926 UOCMCUJWPCOCOJ-LJQANCHMSA-N 404.963 3.707 10 1 HHCF COc1cc2nc(Cl)nc(Nc3ccc(O)c(C[N+](C)(C)C)c3)c2cc1OC 40620370 XCHRCDHXYIIQHP-UHFFFAOYSA-O 403.890 3.956 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 587748508 XMIZGDGLTVPUCW-WNWIJWBNSA-N 411.227 3.705 10 1 HHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4[nH]3)cc2)c1O 103266489 KRAHWYARTAFAAJ-UHFFFAOYSA-N 424.482 3.690 10 3 HHCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccn3)cc2)cc1 1857612246 DNXRLPGHFAJGCF-XZOQPEGZSA-N 416.525 3.559 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 3983152 SZFXIWSPFITWIU-UPBMQRFZSA-N 403.500 3.511 10 1 HHCF Cc1[nH]n(C(C)(C)C)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169330548 KPJOMHQNVZUKNQ-FMQUCBEESA-N 404.448 3.761 10 1 HHCF C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 26841687 PAQBHXDEBBJUMZ-UHFFFAOYSA-O 423.474 3.841 10 1 HHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c21 587159759 XESFYXQRUGQAKQ-UHFFFAOYSA-N 417.352 3.965 10 1 HHCF COc1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 103297493 OOVLPSLZNBISNS-POCHDABASA-N 403.526 3.577 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 587759179 FBWFYHICZVYXOW-WYRIXSBYSA-N 419.294 3.733 10 1 HHCF COC(=O)c1cc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)ccc1N1CCOCC1 962094630 WOULJTZBSXAGNM-XMMPIXPASA-N 424.541 3.674 10 1 HHCF CC1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 4847689 YOUVSYQBNNLMQM-QFIPXVFZSA-N 408.525 3.748 10 3 HHCF COc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3ccccc3O)c2)cc1OC 35000921 DFXRQICUKIMCRB-UHFFFAOYSA-N 401.440 3.583 10 1 HHCF C[C@H](O)C(C)(C)c1c2c(c(O)c3oc(=O)cc(-c4ccccc4)c13)C(=O)[C@H](C)C2=O 238753281 HFAYPAPFNRWYPI-NEPJUHHUSA-N 406.434 3.839 10 1 HHCF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2C(=O)c2c(O)ccc(O)c21 963051357 DRNQQWXFPFLKHR-SANMLTNESA-N 424.456 3.637 10 1 HHCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2F)cc1 1857577217 JJXQZWDDAVZTAV-ZWKOTPCHSA-N 409.427 3.530 10 1 HHCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@H]1CCC[C@@](C)(O3)O1 166843772 RJBBWCAWCDIZAH-QKFKETGDSA-N 410.422 3.838 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@H]1CC=C[C@H]21 587275335 CCSYKUGQKRCWKD-AVYPCKFXSA-N 414.429 3.582 10 1 HHCF COc1ccc2c(c1)[C@](C)(c1cc([N+](=O)[O-])c(NC(C)=O)cc1O)N(C(C)C)CC2 962096574 YPZPRFNHPUTKSI-JOCHJYFZSA-N 413.474 3.797 10 1 HHCF CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2C1 40915753 AIKODYPOOQJRDT-UHFFFAOYSA-N 414.556 3.773 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587744576 HCPKUKUQROGAKM-GLEZIHRCSA-N 411.227 3.834 10 1 HHCF COc1ccc(N2CCN(CCCCN3CCCc4ccccc4C3=O)CC2)cc1 40916057 JECLSXTZIUKJEC-UHFFFAOYSA-N 407.558 3.686 10 1 HHCF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 587802329 LEDSRCCRJWZQEY-WPCRTTGESA-N 420.282 3.982 10 1 HHCF COc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 20098607 AYJODHOGAZSOMY-NRFANRHFSA-N 424.574 3.770 10 3 HHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cnco4)cc3)C2)cc1 142281723 OFVPCVSDDJSQGC-INIZCTEOSA-N 407.470 3.832 10 1 HHCF COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1OC 40393323 AVADEHXJAFHFJA-HXUWFJFHSA-N 403.438 3.796 10 1 HHCF CCc1ccc(O)c([C@@]2(CCC(=O)O)NCCc3cc4cccc(OC)c4nc32)c1 963044744 CKXQXYQFEXFJLH-XMMPIXPASA-N 406.482 3.766 10 1 HHCF C[C@H](NC(=O)c1ccon1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149955334 DGRYZWMTSXULHC-HNNXBMFYSA-N 405.454 3.541 10 1 HHCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)[C@H]1CC[C@H](F)CC1 169337555 HEUZFWKOIMVRPK-USKJCTHSSA-N 418.417 3.625 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](CC)C2 13555203 AVSFNVCPZFZDDL-HNKZQRQQSA-N 417.527 3.901 10 1 HHCF CN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3cccnc3)c2)CC1 166498437 QGEBKIOJSNPDFE-UHFFFAOYSA-N 402.498 3.665 10 1 HHCF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586950910 GELZUMIQBFCOLQ-UHFFFAOYSA-N 415.500 3.741 10 1 HHCF COc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587746076 IWVMVZSQKBJQSD-ZKANADHPSA-N 411.227 3.834 10 1 HHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@@H]1CC=C[C@H]21 587277402 VJAUKTKFURUCHO-QRQYBIJMSA-N 417.425 3.937 10 1 HHCF CCCc1nc2ccccc2c(=O)n1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 13127827 XYHSAYZJDHDBHS-RGEXLXHISA-N 401.470 3.508 10 3 HHCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@H]2C[C@H](c3ccc(O)cc3)CC[C@H]2[C@H]1O 85596388 DNYUJRBZNAHXRM-MZCSVAAUSA-N 410.466 3.840 10 1 HHCF biogenic,in-vitro O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccc(Br)cc1 1857635106 ZIQJIIDLDBNBDL-UHFFFAOYSA-N 423.244 3.608 10 1 HHCF COc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(O)c1O 587785436 LWGVKVCRQGHQRD-GORDUTHDSA-N 406.192 3.824 10 1 HHCF Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NC1CCCCC1 1857595338 NXTGNUODXUDXCB-UHFFFAOYSA-N 417.981 3.927 10 1 HHCF CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(OC)cc(OC)cc1C2=O 2356793793 KSKJJWCGJXBURK-AWEZNQCLSA-N 400.427 3.504 10 1 HHCF Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 117862667 MRLPPIJHRIIWJS-QFIPXVFZSA-N 402.498 3.585 10 1 HHCF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962729075 GKCVPIUZZDAYAA-LAUBAEHRSA-N 421.415 3.709 10 1 HHCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 101758623 CRIHUYVWIVZTEH-GHVJWSGMSA-N 412.471 3.972 10 1 HHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 587768104 STXRZMAFFPBRFA-SPLOXXLWSA-N 418.354 3.964 10 1 HHCF CCn1c2c(c3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cc4)ccc31)CCC2 1857762162 VRZQJXMMPMFUFQ-UHFFFAOYSA-N 410.539 3.874 10 1 HHCF CO[C@H]1CN(c2ccc(OCC3CC3)cc2)C[C@H]1Oc1ccc([C@H](C)NC(C)=O)cc1 1772628066 BJEAOEQKASPXKA-WGXRPPGPSA-N 424.541 3.955 10 1 HHCF O=S(=O)(Nc1ccn(C2CCCC2)n1)c1cc(Br)cc(Cl)c1O 1911583104 XDCWMSIPCXCWPV-UHFFFAOYSA-N 420.716 3.921 10 1 HHCF CC(C)Nc1nc(Nc2cccc(N)c2)c2ncn(CCc3ccc(N)cc3)c2n1 40394294 MNFMXGZKMMHKRT-UHFFFAOYSA-N 402.506 3.797 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 102630725 SZFXIWSPFITWIU-TVJKQAJBSA-N 403.500 3.511 10 1 HHCF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O 587438590 HCAZNQBBOWBJRE-WQGCFOHBSA-N 417.461 3.896 10 1 HHCF C[C@@](O)(CSc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28090702 QRNGZLXAQWWQRY-CYBMUJFWSA-N 407.395 3.552 10 1 HHCF COCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149641181 NOEBSSAOCIGUEH-GOSISDBHSA-N 408.542 3.773 10 1 HHCF C[C@@H](C(N)=O)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845988 BOJVCGVPPWOSML-AWEZNQCLSA-N 420.494 3.747 10 1 HHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(C)c(C)s3)cc2)c1O 103266504 UQNHTPWABAFOAR-UHFFFAOYSA-N 419.528 3.887 10 1 HHCF Cc1cccc(S(=O)(=O)c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1 219729657 LESWSLWLLDIEFL-UHFFFAOYSA-N 420.471 3.608 10 1 HHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)cc2)N1 587767156 QRVFFQQNMMQODY-RNODOKPDSA-N 404.327 3.621 10 1 HHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 1772624282 HHRFVMHIYVUIRU-PKKBDPGCSA-N 410.514 3.709 10 1 HHCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Br)cc1)CCC2 29131762 ZTJZWQBGGXMXML-UHFFFAOYSA-N 421.360 3.726 10 1 HHCF CC(C)CN(Cc1ccc(N2CCCOCC2)cc1)S(=O)(=O)Cc1ccccc1 147278197 JERXAOIVKPDRGH-UHFFFAOYSA-N 416.587 3.901 10 1 HHCF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587043466 RAVMWNSUCCTSSZ-INIZCTEOSA-N 419.506 3.958 10 1 HHCF COc1cccc2cc3c(nc12)[C@H](c1cc(Br)c(O)cc1O)NCC3 963047348 NZOMJDSNFJAVNN-IBGZPJMESA-N 401.260 3.652 10 1 HHCF Cn1ccnc1-c1ccc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)c1 28603961 XBMRWDFBTQKQES-UHFFFAOYSA-N 416.359 3.677 10 1 HHCF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 40836421 MLAWLJSNDKWVAB-ISWMCGQMSA-N 403.519 3.574 10 1 HHCF C1=CC=C2NCCSCCN=C3C=CC=CC=C3NCCSCCN=C2C=C1 254078709 RGLZGXHYJBKLCU-UHFFFAOYSA-N 412.628 3.547 10 1 HHCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CC3(CCCCC3)Oc3c2ccc(O)c3O)N1 962925634 WPBBYXMIJWHWPG-SBUREZEXSA-N 413.445 3.565 10 1 HHCF Cc1n(-c2ccccc2)c2c([n+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C2=O 17313263 PQZLFXZXYYIYHR-UHFFFAOYSA-N 424.436 3.805 10 1 HHCF COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 587276060 IQALALOWIIYLOA-XEKQOVJPSA-N 405.414 3.788 10 1 HHCF COC(=O)Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805187 HDTWRJJEQFCYBD-APBUJDDRSA-N 408.267 3.633 10 1 HHCF COC(=O)c1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812472 ZLXIQPVYZVRMGJ-APBUJDDRSA-N 408.267 3.878 10 1 HHCF CCOc1ccc(CN2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 22851640 JKQVBWWTMZSCHW-QHCPKHFHSA-N 409.574 3.881 10 3 HHCF COc1cccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)c1 53294093 GMDWSVXNCBCEDX-UHFFFAOYSA-N 416.433 3.616 10 1 HHCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](CC)C2 13555206 AVSFNVCPZFZDDL-PMUIAIRXSA-N 417.527 3.901 10 1 HHCF COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587744577 HCPKUKUQROGAKM-VXJOIVPMSA-N 411.227 3.834 10 1 HHCF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1ccc2c(c1)OCCO2 962896138 KKDFGRWDBMQLPQ-WMZHIEFXSA-N 422.456 3.693 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587748216 VVAJTVUCZROTDA-PWJLMRLQSA-N 409.211 3.638 10 1 HHCF O=C(C(=O)c1ccc(Cl)cc1Cl)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 96932343 JMHARSXSRHZXFL-UHFFFAOYSA-N 405.197 3.607 10 1 HHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 587748220 VVAJTVUCZROTDA-ZKANADHPSA-N 409.211 3.638 10 1 HHCF CCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 13643727 ORFJJWLYLGOOLA-UHFFFAOYSA-N 411.479 3.602 10 1 HHCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cc(Br)ccc1O 45284759 HOBUXGKNJSGAOJ-CMPLNLGQSA-N 404.282 3.590 10 1 HHCF CSc1ccccc1[C@H]1CCCN1C(=O)[C@H](C)NC(=O)NCc1ccc(N)cc1 117854955 TVKLFQICQPFXPX-HNAYVOBHSA-N 412.559 3.542 10 1 HHCF CCCC[C@@H]1CC[C@@](CCc2cc(CNC)c(O)c(OC)c2)(OC(C)=O)C[C@H]1O 2356777865 FYMRIADKJAOCIS-KKLQWCBXSA-N 407.551 3.706 10 1 HHCF