smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc2c(=O)oc(-c3cccc(C(F)(F)F)c3)nc2c(OC)c1OC 1042538 ZPOURYQKLMLCDV-UHFFFAOYSA-N 381.306 3.900 0 30 GHAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)n1 3983639 BYIZBQYFYUCIRM-AWEZNQCLSA-N 383.492 3.905 0 30 GHAC O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1O)c1c(F)c(F)c(F)c(F)c1F 146106397 XSHSCFIFMQLIHE-UHFFFAOYSA-N 382.628 3.902 0 30 GHAC CN(C(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1)C1CCCCC1 1366356 DXKJJIMJDAGUMT-UHFFFAOYSA-N 387.484 3.539 0 30 GHAC O=S(=O)(O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)O 145032531 FSYXAPOKTVUUFC-UHFFFAOYSA-N 390.438 3.514 0 30 GHAC O=S(=O)(Oc1ccccc1N1CCOCC1)c1cc(Cl)sc1Cl 4332752 NBWDQSRXPVUPFK-UHFFFAOYSA-N 394.301 3.659 0 30 GHAC COC(=O)/C=C/[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 309685394 APROCWDFQXLHHA-ATWMFIQVSA-N 384.270 3.614 0 30 GHAC COC(CSc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(C)c1)OC 1043146 WSTVOYUIPJSCSV-UHFFFAOYSA-N 388.464 3.853 0 30 GHAC COc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc(=O)c2cc1OC 1029496 JKKOBMJARKMSHM-UHFFFAOYSA-N 376.821 3.579 0 30 GHAC Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)no1 1027682 YAXYQZKYTBVXMS-UHFFFAOYSA-N 390.396 3.567 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2cccs2)[C@@H](C)CC)cc1 38807000 LGSUYZQHULPUKQ-SUMWQHHRSA-N 388.489 3.708 0 30 GHAC Cn1c(=O)c(-c2nc(-c3ccc(Cl)cc3)cs2)cn(-c2ccccc2)c1=O 1039737 NVWXRTYDIXFMBD-UHFFFAOYSA-N 395.871 3.980 0 30 GHAC O=C(OCc1ccccc1)C(Br)(Br)Br 6096380 JYMUNLHUZAPKLC-UHFFFAOYSA-N 386.865 3.568 0 30 GHAC O=S(=O)(c1cccs1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 1029336 WKEBHCFMTAGZIW-UHFFFAOYSA-N 399.950 3.522 0 30 GHAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3nccnc3C(=O)O)cn2)cc1 1032223 ZBZKWWITQZSUFB-UHFFFAOYSA-N 392.415 3.912 0 30 GHAC O=S(=O)(C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1042329 HLHMUDOGIJQKFC-LBPRGKRZSA-N 395.691 3.860 0 30 GHAC COc1ccc(NC(=O)C(Cl)=C(Cl)[S@@](=O)Cc2ccc(C)cc2)cn1 2265276209 UKBGNIASULYWLD-VWLOTQADSA-N 399.299 3.933 0 30 GHAC Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 1034673 XGGMZFYBEOQGBA-UHFFFAOYSA-N 381.379 3.907 0 30 GHAC O=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccc3c2CCO3)n1 1035318 FECJOFZLWHGNFF-UHFFFAOYSA-N 380.425 3.769 0 30 GHAC COC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C(OC)OC 1031642 HOYINLSLGITUCJ-UHFFFAOYSA-N 379.627 3.911 0 30 GHAC Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)c(Br)c1 1042404 WQWISTFMSJYSKR-UHFFFAOYSA-N 382.279 3.560 0 30 GHAC CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C1=O 1661610 IDGCPAFIELNTPI-PZJWPPBQSA-N 389.455 3.952 0 30 GHAC CCOC(=O)Cc1c(C(=O)OCC)c(C)c(C(=O)c2ccc(Cl)cc2)n1C 5855976 NXCXUUSRXIDGRA-UHFFFAOYSA-N 391.851 3.500 0 30 GHAC COc1cccc2c1C[C@@](NC(=O)OCC(C)C)(C(=O)OC(C)(C)C)CC2 36424288 ZDKRTMNHQYQDAY-OAQYLSRUSA-N 377.481 3.647 0 30 GHAC O=C(O)COCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1 3804921 KMUBBNQZNBTUSH-UHFFFAOYSA-N 395.499 3.702 0 30 GHAC investigational CC(=O)S[C@H]1CC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1046018 ASXKQJFVBVRBQN-JTQLQIEISA-N 385.285 3.636 0 30 GHAC O=C(O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OCC1c3ccccc3-c3ccccc31)C2 725240608 QZLYQAVEICDJLQ-YFZFPPMRSA-N 375.424 3.897 0 30 GHAC CCC(C)(C)NC[C@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1 3645921 XKLKBMNSXDQEBY-IBGZPJMESA-N 385.504 3.726 0 30 GHAC CCOC(=O)C(=Cc1cc2cc(OCC)ccc2nc1Cl)C(=O)OCC 32099782 FSOOFRYYSOWZLE-UHFFFAOYSA-N 377.824 3.797 0 30 GHAC O=C1/C(=C/c2cc(Br)ccc2F)S[C@@H]2N[C@H]3CCCC[C@H]3N12 605679950 OCWYYOFDSLWUPG-GBPZKAQJSA-N 383.286 3.703 0 30 GHAC COc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1OC 1044222 ANHHRSFERNIBJS-UHFFFAOYSA-N 390.288 3.532 0 30 GHAC CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC 4213120 CIBHDGPIOICRGX-IRRJNTFVSA-N 380.525 3.730 0 30 GHAC in-man Clc1ccc2c(c1)nnn2CNc1ccc(I)cc1 4362296 BMUMQOLOQPJDHJ-UHFFFAOYSA-N 384.608 3.759 0 30 GHAC Cc1nn(-c2nc(SC(F)F)c(Cl)cc2Cl)c(=O)n1C(F)F 85388644 JUUFWZYEVOYPBL-UHFFFAOYSA-N 377.150 3.754 0 30 GHAC NC(=O)C1=CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F 1042993 ZSJOVMDJGBOHRZ-VIFPVBQESA-N 382.169 3.779 0 30 GHAC C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 4344341 RJTZQKVICQQRTN-FXAWDEMLSA-N 398.503 3.801 0 30 GHAC COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1ccc3c(c1)OCCO3)CC2 1033237 ILBHZMZTBYTMMD-ZDUSSCGKSA-N 384.432 3.626 0 30 GHAC N#CC(=C1SCC(=O)N1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 14008032 CXZOPGUWPWTNEX-UHFFFAOYSA-N 390.873 3.586 0 30 GHAC CCOC(=O)C(=CNc1ccc(Br)cc1Cl)C(=O)OCC 2155257 SGGGPSRYMCQZDH-UHFFFAOYSA-N 376.634 3.525 0 30 GHAC Cn1nc(OS(=O)(=O)c2ccc(Cl)cc2Cl)cc1C(F)(F)F 4300716 FTLWIMPHOVQNPU-UHFFFAOYSA-N 375.155 3.513 0 30 GHAC COC(=O)c1c(C)nn(-c2ccc(OC(F)(F)F)cc2)c1-c1snnc1C 1031990 LPSFFZSRQXWKSB-UHFFFAOYSA-N 398.366 3.693 0 30 GHAC O=C(NC(=O)c1csnn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1034989 DANAVHDAIBILHK-UHFFFAOYSA-N 384.261 3.538 0 30 GHAC O=C(N[C@H](C[C@@H]1CCCCO1)C(=O)O)OCC1c2ccccc2-c2ccccc21 226811355 IENKRBITFINVRA-YCRPNKLZSA-N 395.455 3.938 0 30 GHAC CON=C[C@@H]1C(=O)N(OCc2ccc(Cl)cc2Cl)C(=O)c2ccccc21 254749643 AVJOCMXQYKZJHM-HNNXBMFYSA-N 393.226 3.823 0 30 GHAC COC(=O)c1ccc(C2=NN(C)/C(=C/c3ccc4ccccc4[n+]3C)S2)cc1 38637239 PVTGGYXMHPHGAC-UHFFFAOYSA-N 390.488 3.790 0 30 GHAC CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 1045608 SNFKCRSXSOTYRZ-UHFFFAOYSA-N 378.469 3.889 0 30 GHAC C[C@@H]1CN(C(=O)NCCSCc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 2143906 FWGIJNWIOLSWLZ-CHWSQXEVSA-N 376.444 3.757 0 30 GHAC CCc1ccccc1-n1c(SC[C@H](O)C(F)(F)F)nc2ccccc2c1=O 4389322 SYSGQSFGVNBHAW-INIZCTEOSA-N 394.418 3.963 0 30 GHAC O=C(O)c1cccnc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 4390178 FIULAEFIKIHSLO-MRXNPFEDSA-N 389.333 3.563 0 30 GHAC COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)Oc1cccc(C(F)(F)F)c1 4300752 MFVJWARYYMFGJJ-RHSMWYFYSA-N 380.318 3.924 0 30 GHAC CC1(C)CCc2c(I)nn(C(=O)OC(C)(C)C)c2C1 144662874 RMVDJPDUIFDVEF-UHFFFAOYSA-N 376.238 3.786 0 30 GHAC Cc1cnc(C[S@@](=O)c2nc3ccccc3[nH]2)c(C)c1OCC(F)(F)F 34114776 FPVRBOKLMQOBQO-SANMLTNESA-N 383.395 3.824 0 30 GHAC CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N(CCO)CCO 33955174 PDVQCPFKYPYROG-ZDKIGPTLSA-N 385.589 3.808 0 30 GHAC C[C@]12CCC3(C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CCC21OCCO1)OCCO3 4369474 QPCQTXLITUSAHG-LSNMZSPYSA-N 388.504 3.614 0 30 GHAC CCCCc1ccc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cc1 38652046 IMVRRGAJJGEOEA-UHFFFAOYSA-N 382.441 3.677 0 30 GHAC CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)c2ccc(C)cc2)cc1)C(F)(F)F 3099830 QUZUGXNEYKKTLP-IBGZPJMESA-N 395.377 3.585 0 30 GHAC CSc1nsc(SC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F 1034948 GFWIKFWCHVTHQW-UHFFFAOYSA-N 393.437 3.966 0 30 GHAC CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCCCC2)s1 4334302 ODZRGFDFRMGEBX-UHFFFAOYSA-N 386.517 3.975 0 30 GHAC O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@@H](Cn2cccc2)C1 36047521 CQMUUCFAYCAUIQ-NSHDSACASA-N 379.334 3.957 0 30 GHAC O=C(O)CCOC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 111726163 MMGADXNMRGHPSL-UHFFFAOYSA-N 395.455 3.891 0 30 GHAC Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc2ncccc2c1 1040212 UBRGWELCCYXENY-UHFFFAOYSA-N 375.457 3.761 0 30 GHAC O=C(O)CCC/C=C\C[C@H]1[C@H](F)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 3791051 KDVWQPQZDKHFOC-PTRXCMEYSA-N 392.467 3.519 0 30 GHAC Cc1cc(Br)ccc1N1C(=O)C[C@@H](Sc2ccccc2N)C1=O 1045921 QQNZEWPFVMDFQI-OAHLLOKOSA-N 391.290 3.764 0 30 GHAC O=C(O)CCCSC[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 33891032 DOHIVGMNASTKIY-INIZCTEOSA-N 389.304 3.676 0 30 GHAC CON=C[C@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1 254395389 JINIHYZPNZXVIJ-CYBMUJFWSA-N 392.786 3.901 0 30 GHAC O=C(CCCl)ON=C1C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 254555950 UANKUUQXHZOGJN-UHFFFAOYSA-N 377.227 3.763 0 30 GHAC Cc1ccc2oc(=O)n(CCC(=O)Nc3ccccc3N3CCCCC3)c2c1 1033864 NDUCUWVNMWNOAZ-UHFFFAOYSA-N 379.460 3.922 0 30 GHAC CSc1nsc(SC)c1C(=O)NC(=O)Nc1ccc(F)cc1F 1034945 KYDPIIZWGGDUCL-UHFFFAOYSA-N 375.447 3.827 0 30 GHAC C[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)NC(=O)c1ccc(Cl)cc1 5319746 DWHRYXOFXGGWJE-INIZCTEOSA-N 389.902 3.810 0 30 GHAC CN1CCN2c3c(cccc31)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12 143595671 HOIIHACBCFLJET-NHCUHLMSSA-N 393.506 3.917 0 30 GHAC investigational CCOc1cc(C(F)(F)F)c(C(=O)N(C)Cc2c(OC)cccc2OC)cn1 1043088 RMCXKRUVWMTFKY-UHFFFAOYSA-N 398.381 3.789 0 30 GHAC Cn1c(CSCCOc2ccccc2)nnc1SCC(=O)C(C)(C)C 2158094 YGJRUPPEXQPEHL-UHFFFAOYSA-N 379.551 3.835 0 30 GHAC O=S(=O)(c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCOCC1 1048941 JYKKTTPMVMJLHD-UHFFFAOYSA-N 388.272 3.807 0 30 GHAC O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCc1ccccn1 4347903 KPCULKJLOKKCEE-UHFFFAOYSA-N 381.229 3.836 0 30 GHAC COc1ccc(-n2nnnc2/C=C/Nc2cc(C(F)(F)F)ccc2OC)cc1 4333004 FTFLZHPQBUSXRZ-MDZDMXLPSA-N 391.353 3.781 0 30 GHAC O=C(N[C@H](C(=O)O)C1(O)CCCCC1)OCC1c2ccccc2-c2ccccc21 1535645741 IDYVKJRJDBARKV-HXUWFJFHSA-N 395.455 3.674 0 30 GHAC CCOC(=O)NC(NCCc1cc2ccccc2[nH]1)(C(F)(F)F)C(F)(F)F 20458897 CBSPQZAXDNZGOF-UHFFFAOYSA-N 397.319 3.867 0 30 GHAC COc1c(-c2ccc3c(c2)CN[C@@H]3C)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 3585055 LWJLLBOVJVEMCG-GFCCVEGCSA-N 390.439 3.874 0 30 GHAC Cc1cc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2C)no1 3127572 VLERAKXYDMDVCJ-UHFFFAOYSA-N 397.382 3.528 0 30 GHAC O=C(N[C@@H](C[C@H]1CCCCO1)C(=O)O)OCC1c2ccccc2-c2ccccc21 226811373 IENKRBITFINVRA-VFNWGFHPSA-N 395.455 3.938 0 30 GHAC O=C1c2ccccc2[C@]2(c3ccccc3)N1CCN2C(=O)C(Cl)(Cl)Cl 1025209 LYLROSHDMYBMEH-QGZVFWFLSA-N 395.673 3.556 0 30 GHAC Cn1cnnc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1040900 IHFPGXMYLHPAQH-UHFFFAOYSA-N 384.305 3.584 0 30 GHAC O=C(O)CCCCCCC/C=C\C[C@H](O)CCCCCCS(=O)(=O)O 199061858 ATCPHQYCUNTONC-OOYWPUHTSA-N 378.531 3.947 0 30 GHAC CCOC(=O)c1nn(CC)c(-c2ncc(Br)cc2OC)c1Cl 230547599 JIRNJRLZFWLKTJ-UHFFFAOYSA-N 388.649 3.566 0 30 GHAC O=C(N[C@H](Cc1cc[nH]c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 231416481 QDDIKVNUBOXYKQ-HXUWFJFHSA-N 376.412 3.549 0 30 GHAC COc1ccc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(O)c1OC 4716569 WWWKIQOQQGESSQ-UHFFFAOYSA-N 381.384 3.551 0 30 GHAC biogenic Cc1nc(C(F)(F)F)ccc1C(=O)NCCNc1ncccc1C(F)(F)F 20406019 HJKRIFDSIQKSDL-UHFFFAOYSA-N 392.303 3.665 0 30 GHAC CC(C)(C)OC(=O)NCCCN(c1ccccc1)S(=O)(=O)c1ccccc1 536553470 FHLCYMVMFIZBPH-UHFFFAOYSA-N 390.505 3.797 0 30 GHAC COc1ccc(OC(=O)c2ccccc2I)cc1OC 139668553 LZMRWVKNBDPIGH-UHFFFAOYSA-N 384.169 3.528 0 30 GHAC COc1cccc2c1OC[C@@H](CO)[C@@H]2N(C)C(=O)Nc1ccc(Cl)cc1 15446352 LXTJEWSZGJHDLH-PXAZEXFGSA-N 376.840 3.555 0 30 GHAC Cc1ccc(S(=O)(=O)n2ccc3c(Br)c(Cl)cnc32)cc1 79033997 UOUXYCQYVQVYCQ-UHFFFAOYSA-N 385.670 3.998 0 30 GHAC Cc1c(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 1025462 YWSRXEIUHOGUIB-IBGZPJMESA-N 385.464 3.846 0 30 GHAC COc1cccc2c1OC[C@H](CO)[C@H]2N(C)C(=O)Nc1ccc(Cl)cc1 15446351 LXTJEWSZGJHDLH-YVEFUNNKSA-N 376.840 3.555 0 30 GHAC C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCOCC1 685945720 VQYOJEXPQLQPOI-HNNXBMFYSA-N 395.455 3.795 0 30 GHAC Cc1ccc([C@@H]2O[C@H]3CO[C@@H](c4ccc(C)c(C)c4)O[C@H]3[C@@H](CO)O2)cc1C 223507596 ZOWZWHMCIRRSTI-YSFPZDHXSA-N 384.472 3.809 0 30 GHAC Cc1ccc(C(=O)C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 100293205 OEYACIQZBHNITB-UHFFFAOYSA-N 398.418 3.994 0 30 GHAC CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 1365853 PQRUZSCSLCRWDQ-GFCCVEGCSA-N 393.534 3.505 0 30 GHAC COC(C)(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 234641791 PVNKAFVHDUMQCI-IBGZPJMESA-N 383.444 3.793 0 30 GHAC O=c1oc2ccccc2n1CCc1nc(-c2ccc(C(F)(F)F)cc2)no1 1047621 NXYZITYDFCNGBO-UHFFFAOYSA-N 375.306 3.906 0 30 GHAC O=C(Cc1c(F)cccc1Cl)NC(=O)NCCc1c(F)cccc1Cl 1048924 FCFDTAINKRRDFL-UHFFFAOYSA-N 387.213 3.883 0 30 GHAC CCOC(=O)C1CCN(C(=S)Nc2ccc(Br)cc2C)CC1 1043287 JXMSUBSYQZVQPW-UHFFFAOYSA-N 385.327 3.729 0 30 GHAC O=C1[C@@H]2ON(Cc3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 5517988 HZMSYRZEXJWYIO-DNVJHFABSA-N 398.462 3.729 0 30 GHAC c1csc(Cn2nnnc2CN2CCC(c3nc4ccccc4s3)CC2)c1 4486945 GJPPJFMNBITPJV-UHFFFAOYSA-N 396.545 3.772 0 30 GHAC CCN(CC)CCOc1ccc2c(c1)CCN[C@@H]2c1cnc2ccccc2n1 3703325 UYHLKQSKPCGDJE-QHCPKHFHSA-N 376.504 3.586 0 30 GHAC O=C(O)c1cccnc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 4390179 FIULAEFIKIHSLO-INIZCTEOSA-N 389.333 3.563 0 30 GHAC Cn1cc(S(=O)(=O)Nc2ccc(Oc3c(Cl)cccc3Cl)nc2)cn1 4334868 CCCPQNFOEGBMOZ-UHFFFAOYSA-N 399.259 3.715 0 30 GHAC COC(C)(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 234594082 PVNKAFVHDUMQCI-LJQANCHMSA-N 383.444 3.793 0 30 GHAC CSc1n[nH]c(NS(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccn1 1041362 IUHWKHVRYLMOOI-UHFFFAOYSA-N 380.882 3.648 0 30 GHAC Cn1ccnc1SCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 1032749 LNPFGINMHAQARG-MRXNPFEDSA-N 394.422 3.682 0 30 GHAC O=S(=O)(C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1042319 GLHNQXZHGQMPEP-LLVKDONJSA-N 395.691 3.860 0 30 GHAC O=C(ON=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)C1CC1 254911765 OGLICLBTBXDFEV-UHFFFAOYSA-N 388.345 3.910 0 30 GHAC COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC 6716390 HOOQLZPFGONGJY-UHFFFAOYSA-N 391.431 3.869 0 30 GHAC in-vitro CC(C)(C)OC(=O)N[C@]1(Cl)C[C@@H](C(F)(F)F)CN(c2ccccn2)C1 1081258148 YUOJUDISRULIQT-IAQYHMDHSA-N 379.810 3.930 0 30 GHAC O=S1(=O)c2ccccc2CCN(CCCN2CCCCC2)c2ccccc21 5422036 OWZWKFMDMAWURX-UHFFFAOYSA-N 384.545 3.758 0 30 GHAC COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2CCOC(=O)C2CC2)cc1 4389027 WECUAKBLGGIEME-GGAORHGYSA-N 390.483 3.972 0 30 GHAC O=C1CC2(CCCC2)CC(=O)N1c1ccc(I)cc1F 4381346 YMEUVTGMQDYDNI-UHFFFAOYSA-N 387.192 3.644 0 30 GHAC Cc1ccc([C@H]2OC[C@@H]3O[C@@H](c4ccc(C)c(C)c4)O[C@H](CO)[C@@H]3O2)cc1C 223507645 ZOWZWHMCIRRSTI-QCBQRGATSA-N 384.472 3.809 0 30 GHAC Cc1ccc(C(=O)NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1 4394795 FTAQJNMJDCSXDW-UHFFFAOYSA-N 388.802 3.694 0 30 GHAC O=C(O)CC1(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)CCCCC1 4362479 WXDKAWJBMASHAO-UHFFFAOYSA-N 394.899 3.930 0 30 GHAC Cc1ccc(C)n1CCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 20223897 OHLOKXCPLCAMLG-UHFFFAOYSA-N 379.426 3.582 0 30 GHAC N=C(NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(C(F)(F)F)cc1 20230366 CCQSWAFMXHURPF-UHFFFAOYSA-N 391.271 3.797 0 30 GHAC O=C(Oc1ccccc1C(=O)Oc1ccccc1C(=O)O)c1ccccc1O 148036793 YVJQWLQBUBZFTE-UHFFFAOYSA-N 378.336 3.529 0 30 GHAC in-vitro COc1ccc(NC(=O)C(Cl)=C(Cl)[S@@](=O)Cc2ccccc2)cn1 2265276222 XNTUIWIKFGPDFS-DEOSSOPVSA-N 385.272 3.624 0 30 GHAC CC(C)(C)c1ccc(NC(=O)c2ccc(N3C(=O)CSCC3=O)cc2)cc1 1028698 NVFWMQWUJMNWCT-UHFFFAOYSA-N 382.485 3.843 0 30 GHAC COc1ccc(C(=O)c2c(N)sc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 1034112 DHTYRMAKXIHDSA-UHFFFAOYSA-N 388.489 3.863 0 30 GHAC O=C(NCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2143979 FWSOMVQOIANYBU-UHFFFAOYSA-N 390.283 3.979 0 30 GHAC O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc2c(c1)OCO2 3229893 AMIFDKWTZTWBRC-UHFFFAOYSA-N 394.412 3.677 0 30 GHAC COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(Cl)cccc1Cl 1043350 BOFCYVBBPLZUSM-INIZCTEOSA-N 391.254 3.989 0 30 GHAC O=C(Nc1cncc(-c2cc3cnn([C@@H]4CCCCO4)c3cn2)c1)C1CCC1 498050788 RAQAURGQAGOOBR-FQEVSTJZSA-N 377.448 3.931 0 30 GHAC CSc1cccc(NC(=S)N2CCCC[C@H]2CCN2CCOCC2)c1 20412869 WOICHSZSCSSFHX-KRWDZBQOSA-N 379.595 3.682 0 30 GHAC CCOC(=O)CSCc1noc(COc2ccc(Cl)cc2Cl)n1 1034961 UPHWYSVUHUVFSN-UHFFFAOYSA-N 377.249 3.752 0 30 GHAC O=C(O)[C@@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCOCC2 725240409 COJCHCSZTRLEQV-FQEVSTJZSA-N 393.439 3.501 0 30 GHAC C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 4344342 RJTZQKVICQQRTN-YLJYHZDGSA-N 398.503 3.801 0 30 GHAC O=C(CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1)c1ccc(F)cc1 19834745 TVQSJZOFCFDTAV-UHFFFAOYSA-N 397.469 3.879 0 30 GHAC CC(=O)Nc1ccc(OCCCNC(=O)c2c(-c3ccccc3)noc2C)cc1 4324716 ZCKNGPBTHGTDDO-UHFFFAOYSA-N 393.443 3.807 0 30 GHAC FC(F)(F)c1cnc(NCCCNC(=S)Nc2cccnc2)c(Cl)c1 20406033 CFEQAIZSTNQRRD-UHFFFAOYSA-N 389.834 3.937 0 30 GHAC Cc1cc(C)n2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nc2n1 1047565 YQNZAXPAKZTQJE-UHFFFAOYSA-N 382.276 3.779 0 30 GHAC O=C(O)[C@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F 205378415 JGPXDNKSIXAZEQ-DACKDJOWSA-N 399.401 3.599 0 30 GHAC CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccn(S(C)(=O)=O)n1 2154660 APGBHUYGDOORPW-UHFFFAOYSA-N 385.561 3.882 0 30 GHAC C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CCOCC1 521396601 PKXCIEOJZVRRNT-HSZRJFAPSA-N 395.455 3.795 0 30 GHAC O=C1[C@H]2[C@@H](c3ccccc3)N(Cc3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 254414477 HZMSYRZEXJWYIO-YTFSRNRJSA-N 398.462 3.729 0 30 GHAC O=C(NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1nn(CCC[C@@H](O)CF)c2ccccc12 2265364084 BOGHQNVNYXAOJR-GBFNDBANSA-N 399.510 3.846 0 30 GHAC O=S(=O)(c1ccccc1)N1CCc2[nH]c3cccc(Br)c3c2C1 575440671 IXSOOJFZLANLKR-UHFFFAOYSA-N 391.290 3.677 0 30 GHAC Cc1nc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cs1 1047572 CBROBIRKJZOALZ-UHFFFAOYSA-N 379.898 3.631 0 30 GHAC CCCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)OCC)cs2)cc1 4297056 JJZSTZCXNFIHGY-UHFFFAOYSA-N 396.534 3.782 0 30 GHAC CN1CCN(CCCN2c3ccccc3[S@@](=O)c3ccc(Cl)cc32)CC1 21981328 AZGYHFQQUZPAFZ-SANMLTNESA-N 389.952 3.596 0 30 GHAC biogenic,in-vitro CCOc1ccccc1NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 19924676 SQAWIUWTMYAVSQ-UHFFFAOYSA-N 394.397 3.853 0 30 GHAC Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)ccc(C#N)c1Cl 115976439 XMBUPPIEVAFYHO-KZULUSFZSA-N 393.834 3.976 0 30 GHAC CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 1033820 BVRWFYIQJINQSD-UHFFFAOYSA-N 399.559 3.534 0 30 GHAC COc1ccc(S(=O)(=O)n2ccc(-c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 1038604 DYLGOXQLIURIPQ-UHFFFAOYSA-N 398.484 3.899 0 30 GHAC O=C(O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OCC1c3ccccc3-c3ccccc31)C2 725240607 QZLYQAVEICDJLQ-XWRIVVANSA-N 375.424 3.897 0 30 GHAC O=C(CSC1=NCCS1)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 1032769 SISYAAJCDSVDPV-OAHLLOKOSA-N 399.463 3.992 0 30 GHAC CON=C[C@@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1 254395390 JINIHYZPNZXVIJ-ZDUSSCGKSA-N 392.786 3.901 0 30 GHAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3[C@@H]3C(=O)O[C@]32C1 2265352002 WTOZCOCDBCGJOV-VGUQALKFSA-N 388.504 3.681 0 30 GHAC CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1 1565503619 VPEZYDNNURIHBQ-UHFFFAOYSA-N 384.336 3.834 0 30 GHAC CN(C)CC(=O)Nc1ccc(O)c(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 38647191 IKZAYYJKUYPUIQ-SOFGYWHQSA-N 392.377 3.807 0 30 GHAC CCCC[Sn](CCCC)(CCCC)OS(N)(=O)=O 196004257 AYFVIIACGSIVPM-UHFFFAOYSA-M 386.146 3.552 0 30 GHAC C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC21OCCO1 13466840 QPCQTXLITUSAHG-WJRACZLCSA-N 388.504 3.614 0 30 GHAC Cn1c(SCc2nnc(S)n2Cc2ccccc2)nnc1-c1ccccc1 1033660 XNLFARJDLFSEAO-UHFFFAOYSA-N 394.529 3.703 0 30 GHAC CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1Cl 1033716 TUUPLSDVZCIFLV-HNNXBMFYSA-N 397.814 3.704 0 30 GHAC CCOC(=O)/C=C/c1ccc(OCOCCOC)cc1OCc1ccccc1 1857792989 WVLZXTTVANQRPO-ZRDIBKRKSA-N 386.444 3.841 0 30 GHAC CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C2 100244233 KWUDBXYHMNFFKY-UWVGGRQHSA-N 383.728 3.550 0 30 GHAC O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc2ccccc2o1 4324539 DZVLZXULFYQXFD-UHFFFAOYSA-N 389.377 3.852 0 30 GHAC CC[C@H](C)CNC(=S)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20224007 QCSGFMSHOCQNLY-NSHDSACASA-N 394.894 3.796 0 30 GHAC Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)OC(C)(C)C 1857792950 GVZDLFWVCYPKSK-UHFFFAOYSA-N 394.479 3.954 0 30 GHAC CCOC(=O)[C@H](C)Nc1ccc(C(=O)c2ccccc2)cc1C(=O)N1CCCC1 536554707 UTJMLSHWMYNNCS-INIZCTEOSA-N 394.471 3.517 0 30 GHAC O=C1/C(=C/c2cc(Br)ccc2F)S[C@@H]2N[C@@H]3CCCC[C@@H]3N12 575447724 OCWYYOFDSLWUPG-RWQWCHLQSA-N 383.286 3.703 0 30 GHAC O=C(O)COC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 95883866 JQNCKJWAVRGEBT-UHFFFAOYSA-N 381.428 3.501 0 30 GHAC Cc1ccc(C=NNC(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1 13142755 WTBXQDHJOKEQBV-UHFFFAOYSA-N 385.777 3.747 0 30 GHAC CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 95087602 LJXMLDLWRISVQZ-NSHDSACASA-N 375.300 3.520 0 30 GHAC O=S(=O)(CCSc1nccc(-c2cccs2)n1)c1ccc(F)cc1 1032702 OQZUQGRZRYYPJJ-UHFFFAOYSA-N 380.491 3.910 0 30 GHAC CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NCc3cccs3)n21 1368699 NVAVUIJHGPJEGE-UHFFFAOYSA-N 384.530 3.706 0 30 GHAC COc1cc(CC[C@@H](C)NC(=O)c2ccco2)ccc1OC(=O)c1ccco1 1037024 DAJHWCFJZKGXPL-CQSZACIVSA-N 383.400 3.852 0 30 GHAC CCCCCCCCCCCCCCOC(=O)C[C@@](O)(CC(=O)O)C(=O)O 111902220 AINUDUZWTSLGMN-FQEVSTJZSA-N 388.501 3.911 0 30 GHAC Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccc(-c2cnco2)cc1 4389125 SDVPCPGZARIMKA-UHFFFAOYSA-N 395.440 3.784 0 30 GHAC CCC(C)(C)NC[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1 3645923 XKLKBMNSXDQEBY-LJQANCHMSA-N 385.504 3.726 0 30 GHAC O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(CCc2ccccc2)CC1 4324644 YSNFTMQRMSNNQU-UHFFFAOYSA-N 393.409 3.977 0 30 GHAC CC(C)(C)C(=O)Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1044717 NMKWCBZLVNPNDF-UHFFFAOYSA-N 380.292 3.993 0 30 GHAC CN(C)c1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 4347646 JWGJQSBJYMVANJ-UHFFFAOYSA-N 394.906 3.917 0 30 GHAC COc1ccccc1N1CC(C)(C)C(=O)N(C(=O)c2ccc(C)cc2)C1=S 1025021 SRXNKTRVLMGHCS-UHFFFAOYSA-N 382.485 3.804 0 30 GHAC O=C(ON=C1CCS(=O)(=O)c2sccc21)c1ccc(Cl)c(Cl)c1 254735552 LDUBZLAGBXGHOS-UHFFFAOYSA-N 390.269 3.793 0 30 GHAC CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 95087603 LJXMLDLWRISVQZ-LLVKDONJSA-N 375.300 3.520 0 30 GHAC O=C1CC2(CCCC2)C(=O)N1CCCNc1ncc(C(F)(F)F)cc1Cl 19834487 XWZBEUPMXVNRQN-UHFFFAOYSA-N 389.805 3.875 0 30 GHAC CON=C(C[S@@](=O)c1ccc(Br)cc1)c1ccc(OC)cc1 254303533 JOVDEIQKDNPKBS-JOCHJYFZSA-N 382.279 3.616 0 30 GHAC CC(C)(C)OC(=O)N[C@@]1(Cl)C[C@H](C(F)(F)F)CN(c2ccccn2)C1 1081258150 YUOJUDISRULIQT-NHYWBVRUSA-N 379.810 3.930 0 30 GHAC CC(C)NCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 575440559 REQUCFURODBCSY-UHFFFAOYSA-N 397.335 3.865 0 30 GHAC O=C(N[C@H](C(=O)O)c1ccns1)OCC1c2ccccc2-c2ccccc21 404443749 BQGNEFSMHAUMNU-SFHVURJKSA-N 380.425 3.808 0 30 GHAC CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC 4216393 KYBOHGVERHWSSV-VNIVIJDLSA-N 394.552 3.976 0 30 GHAC world COC(OC)c1ccnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 1047955 PGJXTVDZPYBJEE-UHFFFAOYSA-N 388.276 3.806 0 30 GHAC Cc1cc(Br)ccc1N1C(=O)C[C@H](Sc2ccccc2N)C1=O 100394854 QQNZEWPFVMDFQI-HNNXBMFYSA-N 391.290 3.764 0 30 GHAC Cc1nc2ccccn2c1-c1ccnc(SCC(=O)Nc2ccccc2)n1 1031574 JFMMSEAAHLAAPW-UHFFFAOYSA-N 375.457 3.831 0 30 GHAC CC(=O)S[C@@H]1CC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 100394433 ASXKQJFVBVRBQN-SNVBAGLBSA-N 385.285 3.636 0 30 GHAC COc1ccc(C(=O)CN2CCN(c3cc(C)nc4ccccc34)CC2)cc1 4336351 HGKIBQCJDDCQAV-UHFFFAOYSA-N 375.472 3.557 0 30 GHAC CSC1=N/C(=C\Nc2nc(C)cc(C)n2)C(=O)N1Cc1cccc(Cl)c1 4382810 STOFXYUFVPSIBM-DHDCSXOGSA-N 387.896 3.762 0 30 GHAC CON=CC(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 254699252 MOXXVTFRDSGADH-UHFFFAOYSA-N 380.231 3.819 0 30 GHAC COc1cc2c(=O)n(CCSC(C)(C)C)c(=S)[nH]c2c(OC)c1OC 1042537 AUHGAPSJLJHMOR-UHFFFAOYSA-N 384.523 3.617 0 30 GHAC O=C(COc1cc(C(F)(F)F)nc2ccccc12)Nc1ccc2c(c1)OCO2 4302097 JLVVCASZCCDJKW-UHFFFAOYSA-N 390.317 4.000 0 30 GHAC CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1 95845469 DIUHLSNBUJPEQZ-GUYCJALGSA-N 384.270 3.763 0 30 GHAC Cn1cc(Br)c(-c2cccc(NC(=O)CC(C)(C)CC(=O)O)c2)n1 1030579 OYDXOLQVSHDCIJ-UHFFFAOYSA-N 394.269 3.679 0 30 GHAC Cc1nc(C)c(-c2cnc(NS(=O)(=O)c3ccc(Cl)cc3)nc2)s1 1023956 VEWIYYFYHFZMAB-UHFFFAOYSA-N 380.882 3.671 0 30 GHAC O=C(NCCc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 4307193 VYZHBRYSHVUEBH-UHFFFAOYSA-N 394.784 3.912 0 30 GHAC COc1ccc(CCC(=O)N(c2nccc3ccccc23)[C@H]2CCCNC2)cc1 725236962 OKTGXQMSOIQCTJ-FQEVSTJZSA-N 389.499 3.961 0 30 GHAC O=C(O)c1ccccc1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 1023274 OUFPMNGLEOXUFA-UHFFFAOYSA-N 375.306 3.842 0 30 GHAC CCCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1 13911284 RERUNBZDXKYMQE-UHFFFAOYSA-N 384.457 3.922 0 30 GHAC O=C(O)CC[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1 1535405652 JKHXXGWSFYCSNO-QFIPXVFZSA-N 381.428 3.549 0 30 GHAC COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1N1C(=O)C=CC1=O 1027069 QVTOWSZNSKLJMV-UHFFFAOYSA-N 397.330 3.775 0 30 GHAC Cc1nnsc1-c1c(C(=O)O)c(C)nn1-c1ccc(OC(F)(F)F)cc1 1031992 HMHGNAITIQIGTI-UHFFFAOYSA-N 384.339 3.604 0 30 GHAC CCOC(=O)[C@@H](C)Nc1ccc(C(=O)c2ccccc2)cc1C(=O)N1CCCC1 536554708 UTJMLSHWMYNNCS-MRXNPFEDSA-N 394.471 3.517 0 30 GHAC COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F 20432347 SYWIUNMDWLKGPO-UHFFFAOYSA-N 393.287 3.753 0 30 GHAC COc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 20443381 DBNVRXSXCVOMLQ-UHFFFAOYSA-N 379.382 3.964 0 30 GHAC COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2cccnc2)cc1 1029667 ZYUSUAXXPQPQNT-UHFFFAOYSA-N 376.338 3.762 0 30 GHAC COc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)c1 5094501 SDLZESQINVUBME-UHFFFAOYSA-N 377.444 3.621 0 30 GHAC Cc1ccc(S(=O)(=O)N2CCC(c3cc(-c4ccccc4)[nH]n3)CC2)cc1 1368398 CRRLQDLHJZGFRO-UHFFFAOYSA-N 381.501 3.953 0 30 GHAC Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(F)cc1 4324632 NEYVPAWWSHFUOH-UHFFFAOYSA-N 381.429 3.546 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)[C@@H](C)CC)cc1 38806998 LGSUYZQHULPUKQ-GUYCJALGSA-N 388.489 3.708 0 30 GHAC FC(F)(F)c1ccnc(N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c1 19835055 YFIIWPJVBNIKLH-UHFFFAOYSA-N 387.409 3.813 0 30 GHAC CSc1sc(-c2nnc(SCC(=O)NC(C)C)n2C)c2c1C=CCC2 1038418 HCTZPWQXEQIPBQ-UHFFFAOYSA-N 394.591 3.842 0 30 GHAC O=S(=O)(Oc1cccnc1)c1c(Cl)sc(Cl)c1Br 6500245 GGQSKRXYMASKTN-UHFFFAOYSA-N 389.079 3.980 0 30 GHAC CCOc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 42751593 RUXDIEQSZSAVOS-UHFFFAOYSA-N 392.503 3.806 0 30 GHAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)n1 3983640 BYIZBQYFYUCIRM-CQSZACIVSA-N 383.492 3.905 0 30 GHAC COC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCNCC2)C[C@H]1C 79047603 UMHBKLJQDYEWER-VQIMIIECSA-N 399.501 3.541 0 30 GHAC C[C@H](CCN1CCN(c2ccc(F)cc2)CC1)NC(=O)c1ccc(Cl)cc1 5320203 DWHRYXOFXGGWJE-MRXNPFEDSA-N 389.902 3.810 0 30 GHAC O=C(Nc1ccc(OC(F)(F)F)cc1)OCCn1ncc2ccccc2c1=O 1031099 IWMDZZAATFKAOP-UHFFFAOYSA-N 393.321 3.544 0 30 GHAC O=c1oc(-c2cccc(C(F)(F)F)c2)nn1-c1ncccc1C(F)(F)F 1043036 FZMIBJHEZSTHDB-UHFFFAOYSA-N 375.228 3.925 0 30 GHAC O=S(=O)(c1cccc(C(F)(F)F)c1)n1nc(C(F)(F)F)c2cnccc21 1025490 WRPACICRRXJYSR-UHFFFAOYSA-N 395.284 3.706 0 30 GHAC COc1cc(OCc2ccccc2)ccc1CN1CCN(c2ccccn2)CC1 4325085 PYEUCHAWMDWBSB-UHFFFAOYSA-N 389.499 3.991 0 30 GHAC O=C(N[C@H](C(=O)O)[C@@H]1CCCCO1)OCC1c2ccccc2-c2ccccc21 695037538 GQYQAVYSVDRPST-PMACEKPBSA-N 381.428 3.547 0 30 GHAC COC(=O)c1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 1044584 PRVOPDBLNLTQTD-UHFFFAOYSA-N 388.272 3.746 0 30 GHAC FC(F)(F)c1cc(Br)c2c(I)n[nH]c2c1 14986014 IGOIJJKIDMAMMX-UHFFFAOYSA-N 390.928 3.949 0 30 GHAC O=C(NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1nn(CCC[C@H](O)CF)c2ccccc12 2265364085 BOGHQNVNYXAOJR-PSIAJDNWSA-N 399.510 3.846 0 30 GHAC CCCCCCCCCCCCCCOC(=O)C[C@](O)(CC(=O)O)C(=O)O 111902222 AINUDUZWTSLGMN-HXUWFJFHSA-N 388.501 3.911 0 30 GHAC O=C(N[C@H](C[C@H]1CCCCO1)C(=O)O)OCC1c2ccccc2-c2ccccc21 226811366 IENKRBITFINVRA-QVKFZJNVSA-N 395.455 3.938 0 30 GHAC CC(C)(C)SCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20224062 ZKEANFDNHYGWAD-UHFFFAOYSA-N 395.878 3.934 0 30 GHAC COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2OC)CC1 1046545 NIEZNVXRIAQDDO-UHFFFAOYSA-N 375.856 3.711 0 30 GHAC CN1c2cc(F)ccc2C(c2ccccc2)=NC[C@@H]1CNC(=O)c1ccoc1 607947 QJSCDZOUCFWCKD-GOSISDBHSA-N 377.419 3.505 0 30 GHAC in-man CN(C1CCCCC1)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1 4333843 CYLIZVDWGDVWQG-UHFFFAOYSA-N 392.546 3.631 0 30 GHAC O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccc12 100384298 ZKFSJQDHHGMGOY-UHFFFAOYSA-N 396.399 3.795 0 30 GHAC COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1046857 WTFRPQQVUYHOET-UHFFFAOYSA-N 393.770 3.946 0 30 GHAC C[C@H]1CN(C(=O)NCCSCc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 13467715 FWGIJNWIOLSWLZ-BETUJISGSA-N 376.444 3.757 0 30 GHAC O=C(Nc1nc2[nH]nc(-n3cncc3-c3ccccc3Cl)c2s1)C1CC1 98089955 IWKWXLATAOSTKN-UHFFFAOYSA-N 384.852 3.874 0 30 GHAC COc1ccc(/C=C/C(=O)OC[C@@H](C)OC(=O)/C=C/c2ccc(OC)cc2)cc1 38636395 HKNBZMRXMRPLMG-NNGURFJYSA-N 396.439 3.905 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2C)[C@@H](C)CC)cc1 38806992 SLDIWPBQKFGJKM-MGPUTAFESA-N 396.487 3.955 0 30 GHAC O=C(Nc1ccc(F)cc1F)N1CCCN(CCOc2ccccc2)CC1 4324450 ACSTVDXWCKMAGR-UHFFFAOYSA-N 375.419 3.583 0 30 GHAC COc1ccccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 1036926 PXBAYTPOQCQLCE-UHFFFAOYSA-N 390.281 3.812 0 30 GHAC CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCN(C)C2 4324786 CQERZMAVFJPPOP-UHFFFAOYSA-N 377.441 3.696 0 30 GHAC O=C(O)C[C@H]1CC2(CO1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 725241632 KIWUJPUTXRCSAD-HNNXBMFYSA-N 393.439 3.501 0 30 GHAC CCOC(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCCCC1 1030596 OIRQKGUCYGDXIY-UHFFFAOYSA-N 378.428 3.654 0 30 GHAC CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 5923381 LELBFTMXCIIKKX-SUCIZOKWSA-N 398.503 3.825 0 30 GHAC CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1ccccc1 4366769 KDOPUXUSFOEKBQ-UHFFFAOYSA-N 384.476 3.502 0 30 GHAC [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(Cl)cc2Cl)C1=O 38648058 UFWLHIBOVCUXFD-UHFFFAOYSA-N 395.223 3.641 0 30 GHAC COc1cc(Br)c(O)c(C=NNC(=O)c2ccc(Cl)cc2)c1 254855102 DYMVTMRZKKPZNB-UHFFFAOYSA-N 383.629 3.581 0 30 GHAC O=C(N[C@@H](C(=O)O)[C@@H]1CCCCO1)OCC1c2ccccc2-c2ccccc21 695037540 GQYQAVYSVDRPST-VQTJNVASSA-N 381.428 3.547 0 30 GHAC Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1C(F)(F)F 1041285 JXACKDGGEOZFJX-UHFFFAOYSA-N 385.198 3.872 0 30 GHAC COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN[C@@H](C)C2 145087036 WKYMBCVWOLHOQU-NSHDSACASA-N 375.266 3.753 0 30 GHAC CCOC(=O)c1ncn(CC(=O)Nc2cccc(-c3cccc(F)c3)c2)c1C 953019531 SPTQDHBPGUFPQQ-UHFFFAOYSA-N 381.407 3.813 0 30 GHAC O=C(CSc1nnc(SCC2CC2)s1)N1CCC(C(F)(F)F)CC1 3137826 NDOJLLQHIKRGEW-UHFFFAOYSA-N 397.513 3.933 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2C)[C@H](C)CC)cc1 38806991 SLDIWPBQKFGJKM-FOIQADDNSA-N 396.487 3.955 0 30 GHAC COc1ccc(Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)c(OC)c1 201195467 SKVWFKNHNFZHIX-UHFFFAOYSA-N 375.402 3.553 0 30 GHAC Cc1ccc(S(=O)(=O)Nc2cc(-c3ccsc3)sc2C(N)=O)cc1 3179972 AMTAEQDZPYYTSH-UHFFFAOYSA-N 378.500 3.685 0 30 GHAC CCCCc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1 4297067 OLIWGVHRZQSKRZ-UHFFFAOYSA-N 396.534 3.510 0 30 GHAC Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccco1 1030755 BPBXLUKIWKMFAI-UHFFFAOYSA-N 398.366 3.705 0 30 GHAC O=C(N[C@@H](Cc1ccoc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2385679 PBHGLUDWPTXGFD-FQEVSTJZSA-N 377.396 3.814 0 30 GHAC CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1 95845470 DIUHLSNBUJPEQZ-SUMWQHHRSA-N 384.270 3.763 0 30 GHAC O=C(O)c1ccccc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1028118 SLYOLNWBFPMYGL-UHFFFAOYSA-N 375.306 3.842 0 30 GHAC COc1ccc(NC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(OC)c1 729546593 VNILHWNOZWITDN-AWEZNQCLSA-N 393.484 3.567 0 30 GHAC c1ccc(C[C@H](NCCN2CCN(c3nccs3)CC2)c2ccccc2)cc1 22440725 ABLCRXQOSPHRDJ-QFIPXVFZSA-N 392.572 3.839 0 30 GHAC O=C(O)CSCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 4334095 WLYHSHJCPNFAGW-UHFFFAOYSA-N 386.351 3.649 0 30 GHAC COc1cccc(C(=O)CN2C(=O)/C(=C/c3ccco3)N=C2c2ccccc2)c1 1036407 JFJZVKNTCQJLTP-ZHZULCJRSA-N 386.407 3.801 0 30 GHAC COC(=O)c1cccc(NC(=S)NC(=O)c2cc(Cl)sc2Cl)c1 1024499 YSFZUVOGEQXKQB-UHFFFAOYSA-N 389.285 3.968 0 30 GHAC O=C1c2cccnc2C(=O)N1c1ccc(Br)cc1OC(F)(F)F 1046163 BTRAPDCBVPSBJP-UHFFFAOYSA-N 387.111 3.543 0 30 GHAC CCOC(=O)CCCCCC[C@H](C(=O)OCC)[C@@](O)(CCN)C1CCCCC1 33611262 CDYSXCIYAMJFMJ-DENIHFKCSA-N 399.572 3.730 0 30 GHAC COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN[C@H](C)C2 145086837 WKYMBCVWOLHOQU-LLVKDONJSA-N 375.266 3.753 0 30 GHAC O=C(O)[C@@H]1CC[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]21 253186951 UAJLAZSJTNFIAL-KPOBHBOGSA-N 377.440 3.978 0 30 GHAC CCOC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1ccc(C)cc1)C(F)(F)F 4336766 DXWIDLKBGXTQAX-IBGZPJMESA-N 394.393 3.967 0 30 GHAC CC(C)(C)OC(=O)NCC1CCN(Cc2cnc(Cl)nc2Cl)CC1 95087912 MYQMKUZCMNYMCC-UHFFFAOYSA-N 375.300 3.520 0 30 GHAC O=C(O)[C@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCOCC2 725240410 COJCHCSZTRLEQV-HXUWFJFHSA-N 393.439 3.501 0 30 GHAC COc1ccccc1N1CCN(CCc2oc(O)nc2-c2ccc(F)cc2)CC1 36093059 FCMGKQUKZIJJSH-UHFFFAOYSA-N 397.450 3.560 0 30 GHAC in-man CCCc1c(C(=O)Nc2nn(C)c3cccc(OC)c23)cnn1-c1ccccc1 1031180 MPJPVVFKWYGZDO-UHFFFAOYSA-N 389.459 3.972 0 30 GHAC O=S(=O)(C[C@H](O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1042328 HLHMUDOGIJQKFC-GFCCVEGCSA-N 395.691 3.860 0 30 GHAC Cc1cc(C)nc(NC(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)c1 6995569 CDXQLGBUJHQPOU-UHFFFAOYSA-N 392.303 3.756 0 30 GHAC CCc1c(-c2ccccc2)oc2c(CN3CCOCC3)c(OC)ccc2c1=O 32131144 SIJYZFIUGGABIT-UHFFFAOYSA-N 379.456 3.863 0 30 GHAC CCOC(=O)C1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1 1033412 ONGOCNFJXRURDZ-UHFFFAOYSA-N 394.830 3.858 0 30 GHAC COc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)cc1CNC=O 725712387 JDPMWIDEZVQAFU-UHFFFAOYSA-N 397.862 3.520 0 30 GHAC C[S@](=NS(=O)(=O)c1ccccc1)c1ncc(Cl)cc1C(F)(F)F 4361514 VHGFIJVRKXYZQZ-JOCHJYFZSA-N 382.816 3.933 0 30 GHAC CCc1c([C@@H](O)CN2CCN(c3cccc(OC)c3)CC2)oc2ccccc12 33895757 JQABUFVFTNBECN-NRFANRHFSA-N 380.488 3.859 0 30 GHAC Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1NS(C)(=O)=O 4297064 JNIKKKQVPMYLBM-UHFFFAOYSA-N 385.445 3.582 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2cccs2)[C@H](C)CC)cc1 38806999 LGSUYZQHULPUKQ-CXAGYDPISA-N 388.489 3.708 0 30 GHAC COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2CCOC(=O)C2CC2)cc1 1046400 WECUAKBLGGIEME-JTHBVZDNSA-N 390.483 3.972 0 30 GHAC CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 5495536 ACOXQYLJOQAHST-CYBMUJFWSA-N 396.459 3.648 0 30 GHAC CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1 4334423 PQYSUDABVMSHIA-UHFFFAOYSA-N 393.515 3.939 0 30 GHAC CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 1565504589 ZYCRGNCTOGFHLM-HRAATJIYSA-N 382.460 3.674 0 30 GHAC Nc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(-c3cccs3)nn12 1037354 IMKWIWXTVUAIDA-UHFFFAOYSA-N 390.877 3.526 0 30 GHAC Cc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)c(Cl)c1 1048097 MEPMTVFJZYYKHY-INIZCTEOSA-N 388.876 3.652 0 30 GHAC Cc1ccc(S(=O)(=O)NC(=O)NCCSCc2ccccc2Cl)cc1 4390625 ZQFPGSHXZMPTBB-UHFFFAOYSA-N 398.937 3.570 0 30 GHAC O=C(O)C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCOC1 400209020 OJNUTKRUPRODJZ-JOCHJYFZSA-N 381.428 3.549 0 30 GHAC COc1ccc(OC[C@@H](O)CNC(=O)c2sc3ccccc3c2Cl)cc1 1032792 BOBHLLLLWMISHZ-LBPRGKRZSA-N 391.876 3.733 0 30 GHAC O=C(c1ccc(Cl)cc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 1032605 SQRUVJDFZLXXIR-UHFFFAOYSA-N 384.789 3.501 0 30 GHAC CCCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1 1029366 OVOCDHHIHAMQRO-UHFFFAOYSA-N 382.460 3.515 0 30 GHAC CCCCOC(=O)c1ccc(-n2nc(OCCN(C)C)c3ccccc32)cc1 2016368 VZXXAZKSJMKSPJ-UHFFFAOYSA-N 381.476 3.923 0 30 GHAC OCCN1CCCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 22463208 AXJPNVUUDXTSOL-UHFFFAOYSA-N 377.532 3.699 0 30 GHAC in-man O=C(c1ccc(Br)cc1)N1CCNC[C@@H]1c1ccc(Cl)cc1 1775937653 UPCAYMYQVTZZKH-MRXNPFEDSA-N 379.685 3.889 0 30 GHAC CNc1nc(NCc2ncccn2)c2c(-c3ccc4ncccc4c3)c[nH]c2n1 1772572838 PMWVYONICYRLNY-UHFFFAOYSA-N 382.431 3.617 0 30 GHAC C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 1034174 UOANLICOERCLRY-NSHDSACASA-N 384.379 3.631 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)[C@@H](C)CC)cc1 38806990 SLDIWPBQKFGJKM-YWZLYKJASA-N 396.487 3.955 0 30 GHAC O=C(CCn1cc(C(F)(F)F)ccc1=O)Nc1cccc(C(F)(F)F)c1 3046172 PJKWIPSJFAPZBY-UHFFFAOYSA-N 378.272 3.915 0 30 GHAC CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC 25968445 CIBHDGPIOICRGX-UHCQKNSKSA-N 380.525 3.730 0 30 GHAC in-man O=C(CN1CCCC1)c1ccc(-c2ccc(C(=O)CN3CCCC3)cc2)cc1 27646928 KMLDWAQLVQJKAE-UHFFFAOYSA-N 376.500 3.911 0 30 GHAC CCc1cc(OC(=O)O)c(CCC(=O)[C@@H]2CCCC2=O)c(CC)c1OC(=O)O 223525371 UFNWIYMBIWBNSC-CQSZACIVSA-N 392.404 3.796 0 30 GHAC CN1C2=C(C(=O)OC2=O)N(c2cccc(Cl)c2)Cc2ccc(Cl)cc21 140846580 SDGTYQAYZZRXGL-UHFFFAOYSA-N 375.211 3.745 0 30 GHAC O=C(Cc1ccccc1)NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1037017 CODHOUICHZLFBH-UHFFFAOYSA-N 391.298 3.957 0 30 GHAC O=C1Nc2ccccc2C1=Cc1cnc(N2CCN(c3ccccc3)CC2)s1 2265279141 NNXSWAWCXOVXGD-UHFFFAOYSA-N 388.496 3.962 0 30 GHAC O=S(=O)(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1042320 GLHNQXZHGQMPEP-NSHDSACASA-N 395.691 3.860 0 30 GHAC CCOC(=O)CN(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 888084810 XVGUDSZDATUKCW-IBGZPJMESA-N 390.524 3.841 0 30 GHAC CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 80174749 UHEBHFQTEYMJQV-DUYGSNODSA-N 384.447 3.831 0 30 GHAC COc1ccc(Cn2ccc(O)c(CC=Cc3ccccc3)c2=O)cc1OC 2265269968 GOVKTUKNHMUNEQ-UHFFFAOYSA-N 377.440 3.875 0 30 GHAC CCCCNC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 20443579 ZCLIGLFBUSIRKL-UHFFFAOYSA-N 380.414 3.885 0 30 GHAC O=C(c1sccc1Cl)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 1032609 GQBBJDSIGMPYKW-UHFFFAOYSA-N 390.818 3.563 0 30 GHAC Nc1nc(Nc2ccc(C(=O)O)cc2)sc1C(=O)c1c(F)cccc1F 90601972 SBVLLXNWTTYJFE-UHFFFAOYSA-N 375.356 3.676 0 30 GHAC COc1cccc2c1c(NS(=O)(=O)c1cc(Cl)sc1Cl)nn2C 1032287 UBHVLOZXHRTNLW-UHFFFAOYSA-N 392.289 3.751 0 30 GHAC O=C(O)c1nccnc1C(=O)NCc1c(Cl)cccc1Oc1ccccc1 4324692 YPNWAXJVIPNCPJ-UHFFFAOYSA-N 383.791 3.551 0 30 GHAC CCOC(=O)CCCCCC[C@@H](C(=O)OCC)[C@](O)(CCN)C1CCCCC1 33611263 CDYSXCIYAMJFMJ-UGKGYDQZSA-N 399.572 3.730 0 30 GHAC O=C(NCc1ccc(-c2cccs2)s1)c1ccc(N2CCOCC2)nc1 20223759 XVHHGGNLFCCYGF-UHFFFAOYSA-N 385.514 3.638 0 30 GHAC COc1ccc2c3c1O[C@H]1C4(CC[C@@H](C=C2)[C@@]31CCSC(C)=O)OCCO4 205156053 BMSGNTYHJRPBHX-YSGRDPCXSA-N 388.485 3.544 0 30 GHAC COc1cc(C(F)(F)F)nc2c(I)c(C(C)(C)C)nn12 1039257 YBYQPEISWRGQMA-UHFFFAOYSA-N 399.154 3.659 0 30 GHAC CC1(C)O[C@@H]2Cc3ccccc3[C@@H]2N1C(=O)[C@H](Cc1ccccc1)C[C@H]1CO1 21991772 WLQFCUPIQRHKFS-KIZRIRGWSA-N 377.484 3.895 0 30 GHAC in-vitro COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC 4324129 QGLMINHDDNFQAQ-UHFFFAOYSA-N 378.476 3.724 0 30 GHAC Fc1ccc(NC(=S)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 20223941 PSTNJLTUASTVTF-UHFFFAOYSA-N 384.402 3.759 0 30 GHAC CC(C)(C)OC(=O)[C@H]1CN(Cc2ccccc2)[C@H](CO)[C@H]1c1ccc(F)cc1 71261536 SUZJXSBOLSKTGP-HBMCJLEFSA-N 385.479 3.744 0 30 GHAC C[S@](=O)(=NS(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cn1 100217054 GHONLDOSEPUMJC-HSZRJFAPSA-N 398.815 3.599 0 30 GHAC O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCOCC1 95932694 QSKBWIMKGPXNLQ-UHFFFAOYSA-N 378.241 3.651 0 30 GHAC CN(C(=O)c1cn(C)c(=O)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 1043019 PARVWEVNBXNLDI-UHFFFAOYSA-N 379.165 3.988 0 30 GHAC CN1[C@H]2CC[C@@H]1C[C@H](O[C@H]1c3ccccc3N(C)S(=O)(=O)c3ccccc31)C2 100380177 DWCWLRAGCYGTNO-FSBGXSNOSA-N 398.528 3.556 0 30 GHAC in-man Cn1c(S)nnc1CSC1CN(C(c2ccccc2)c2ccccc2)C1 20443691 NSSQSZSXMMCXJN-UHFFFAOYSA-N 382.558 3.811 0 30 GHAC CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NCCNCCO 33953449 MXWVBGZSOBZROQ-ZDKIGPTLSA-N 384.605 3.693 0 30 GHAC COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C(C)(C)C)oc1C 1032625 BRCYLLXDYIBSSJ-UHFFFAOYSA-N 375.421 3.942 0 30 GHAC O=C1c2ccccc2S(=O)(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 1034372 GKQVRYRADMGTCG-UHFFFAOYSA-N 390.873 3.808 0 30 GHAC CN(C)CCc1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ncccc12 34323021 COHWFVKDPZSJED-UHFFFAOYSA-N 379.485 3.531 0 30 GHAC O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cccc3[nH]ccc23)CC1 1042164 PLBDPTZMRWWYBV-UHFFFAOYSA-N 391.496 3.832 0 30 GHAC O=C(CS(=O)(=O)Nc1ccc(F)cc1Cl)Nc1ccc(F)cc1Cl 1039499 RYZDFVFVSQFSCE-UHFFFAOYSA-N 395.214 3.652 0 30 GHAC O=C1c2ccccc2[C@@]2(c3ccccc3)N1CCN2C(=O)C(Cl)(Cl)Cl 1025208 LYLROSHDMYBMEH-KRWDZBQOSA-N 395.673 3.556 0 30 GHAC COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2CCOC(=O)C2CC2)cc1 4389028 WECUAKBLGGIEME-GMAHTHKFSA-N 390.483 3.972 0 30 GHAC CC(C)c1cccc(OC(=O)N(C)[S@](=O)OCCCc2cccnc2)c1 5314894 NVOQVVNJGWVVKC-SANMLTNESA-N 376.478 3.864 0 30 GHAC CON=C(C[S@](=O)c1ccc(Br)cc1)c1ccc(OC)cc1 254303537 JOVDEIQKDNPKBS-QFIPXVFZSA-N 382.279 3.616 0 30 GHAC CCOC(=O)NC(Nc1ccc(OC)cc1OC)(C(F)(F)F)C(F)(F)F 3103547 YQQJDOZUQPWMCJ-UHFFFAOYSA-N 390.280 3.683 0 30 GHAC COc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)cc1OC 1027887 UVOYJYQDMGDKHX-UHFFFAOYSA-N 382.441 3.784 0 30 GHAC Cc1c(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 1025467 YWSRXEIUHOGUIB-LJQANCHMSA-N 385.464 3.846 0 30 GHAC CN(C)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 1041772 IBSFPRLWTARWPV-UHFFFAOYSA-N 381.201 3.901 0 30 GHAC CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H]1c3ccccc3N(C)S(=O)(=O)c3ccccc31)C2 100380183 DWCWLRAGCYGTNO-TXXWUTRGSA-N 398.528 3.556 0 30 GHAC in-man Cc1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c(Br)c1 1042401 CAHHBENGFUUIPO-UHFFFAOYSA-N 396.306 3.701 0 30 GHAC CSc1[nH]nc(NS(=O)(=O)c2ccccc2Cl)c1-c1ccccn1 1041363 IYHJFJNEIZFSLD-UHFFFAOYSA-N 380.882 3.648 0 30 GHAC COc1cccc2c1OC[C@H](CO)[C@@H]2N(C)C(=O)Nc1ccc(Cl)cc1 1396827 LXTJEWSZGJHDLH-SJCJKPOMSA-N 376.840 3.555 0 30 GHAC O=C1[C@@H]2ON(Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 1396804 HZMSYRZEXJWYIO-XPWALMASSA-N 398.462 3.729 0 30 GHAC C[C@H]1C[C@H](C)CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)C1 4297035 XCDSCWAYQOCMPY-GJZGRUSLSA-N 388.489 3.668 0 30 GHAC O=C(Nc1ccc(I)cc1C(=O)O)OCc1ccccc1 62823998 UXJQGMCULRVEED-UHFFFAOYSA-N 397.168 3.738 0 30 GHAC CN1c2cc(F)ccc2C(c2ccccc2)=NC[C@H]1CNC(=O)c1ccoc1 4213704 QJSCDZOUCFWCKD-SFHVURJKSA-N 377.419 3.505 0 30 GHAC in-man O=C(O)c1ccn2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 1535645326 VVXFRSGHJUKIRM-UHFFFAOYSA-N 388.423 3.951 0 30 GHAC COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OC 5998755 JLSQXYITDXJTKL-UHFFFAOYSA-N 378.764 3.550 0 30 GHAC biogenic,in-vitro Cn1sc(=O)c2cc(S(=O)(=O)Oc3ccc(C(C)(C)C)cc3)ccc21 3137928 LESLCWDCJBSMJG-UHFFFAOYSA-N 377.487 3.665 0 30 GHAC O=C(Oc1ccccc1N1CCOCC1)c1cccnc1Oc1ccccc1 1032123 DVLDTKIAPBUWOD-UHFFFAOYSA-N 376.412 3.930 0 30 GHAC COc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(O)c(CC=C(C)C)c1O 14648425 LNKQZQNXQQZHHW-UHFFFAOYSA-N 384.384 3.800 0 30 GHAC biogenic O=C(N[C@@H](C(=O)O)C1(O)CCCCC1)OCC1c2ccccc2-c2ccccc21 1535645739 IDYVKJRJDBARKV-FQEVSTJZSA-N 395.455 3.674 0 30 GHAC CCOC(=O)c1cnc(SCC(=O)c2ccc(-c3ccccc3)cc2)nc1N 1037992 BAAWGJZLFXADRK-UHFFFAOYSA-N 393.468 3.878 0 30 GHAC O=C(CCn1cccc(C(F)(F)F)c1=O)Nc1cccc(C(F)(F)F)c1 1035849 ITYWZMYGKIAXQJ-UHFFFAOYSA-N 378.272 3.915 0 30 GHAC C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CCOCC1 521396602 PKXCIEOJZVRRNT-QHCPKHFHSA-N 395.455 3.795 0 30 GHAC CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccccc2)[C@H](CO)[C@H]1c1ccc(F)cc1 22009088 SUZJXSBOLSKTGP-NJYVYQBISA-N 385.479 3.744 0 30 GHAC O=C(N[C@@H](C(=O)O)[C@H]1CCCCO1)OCC1c2ccccc2-c2ccccc21 695037541 GQYQAVYSVDRPST-WOJBJXKFSA-N 381.428 3.547 0 30 GHAC CCCc1ccc(-c2nc(-c3ccc(OS(=O)(=O)N(C)C)cc3)no2)cc1 4390782 YWPGXOMGYKBULS-UHFFFAOYSA-N 387.461 3.541 0 30 GHAC COC(=O)c1ccc(I)cc1OCc1ccc(OC)cc1 2265356026 LRLVCNQVFGUMDU-UHFFFAOYSA-N 398.196 3.665 0 30 GHAC O=C(O)CSCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 4334867 FCCVZFRCCOWRFV-UHFFFAOYSA-N 387.244 3.937 0 30 GHAC O=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccc3ccccc3c2)CC1 538150 AQFFJGJVFJCQQL-UHFFFAOYSA-N 387.483 3.944 0 30 GHAC in-man CN1CCc2cc(I)c(O)cc2[C@@H](c2ccccc2)C1 5966873 JGBTWNOVLISURM-OAHLLOKOSA-N 379.241 3.617 0 30 GHAC in-vitro CSc1sc(C2=NN[C@@](O)(C(F)(F)F)C2)c2c1C(=O)CCC2(C)C 1047183 JKSRRHGGPBTEQC-AWEZNQCLSA-N 378.441 3.672 0 30 GHAC Cn1ccnc1SCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 1032748 LNPFGINMHAQARG-INIZCTEOSA-N 394.422 3.682 0 30 GHAC O=C(Nc1cncc(-c2cc3cnn([C@H]4CCCCO4)c3cn2)c1)C1CCC1 498050789 RAQAURGQAGOOBR-HXUWFJFHSA-N 377.448 3.931 0 30 GHAC O=C(NCc1csc(-c2cccs2)n1)c1cc(F)cc2c1OCOC2 4389226 GHXZZMAIWRTRKM-UHFFFAOYSA-N 376.434 3.807 0 30 GHAC O=S(=O)(NC1CCCCC1)c1ccc(Cl)cc1I 1040969 VLQIDFKZLMIHLM-UHFFFAOYSA-N 399.681 3.556 0 30 GHAC O=C(O)C1CC(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 725240594 PQRQBKHSFWCPAQ-UHFFFAOYSA-N 377.440 3.978 0 30 GHAC CCCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1 1031194 FXXFKJZHMNRHDQ-UHFFFAOYSA-N 390.487 3.914 0 30 GHAC CC(C)(C)c1ccc(OCc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)cc1 1035823 GLKHIJDYKJRWSJ-UHFFFAOYSA-N 397.500 3.768 0 30 GHAC O=C(N[C@@H](c1cccc2ccccc12)n1nnc2ccccc21)c1cccnc1 238790202 BIDMTCCANZCVQG-JOCHJYFZSA-N 379.423 3.956 0 30 GHAC CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCCCC1 1032612 HGMJVFRCVIPRMR-UHFFFAOYSA-N 388.489 3.654 0 30 GHAC CC(=O)Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 115673174 ASJRVALLTCYYGO-UHFFFAOYSA-N 389.363 3.624 0 30 GHAC O=S(=O)(NC1Cc2ccccc2C1)c1cc(C(F)(F)F)ccc1Cl 1040244 OWGWXSQQPJCVES-UHFFFAOYSA-N 375.799 3.805 0 30 GHAC CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 1365851 PQRUZSCSLCRWDQ-LBPRGKRZSA-N 393.534 3.505 0 30 GHAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/NC(N)=O)CC[C@H]32)C1 35361037 CDZFBBLHHNZLCF-OLEWSGBBSA-N 387.524 3.905 0 30 GHAC Cc1ccc(NC(=S)N2CCN(c3nccc(C(F)(F)F)n3)CC2)c(C)c1 13656598 FUEHFVWMYUQDJJ-UHFFFAOYSA-N 395.454 3.631 0 30 GHAC CCOC(=O)c1sc(SCc2ccccc2)c(S(=O)(=O)C(C)C)c1N 1037749 MLBMXQSZACRFQU-UHFFFAOYSA-N 399.559 3.981 0 30 GHAC CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccc(Br)cc1 95845467 DIUHLSNBUJPEQZ-DYVFJYSZSA-N 384.270 3.763 0 30 GHAC O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1I 1040971 SIPNLXGIAMFPMR-UHFFFAOYSA-N 393.633 3.745 0 30 GHAC O=C(O)CCCSC[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 33891030 DOHIVGMNASTKIY-MRXNPFEDSA-N 389.304 3.676 0 30 GHAC CC(C)(C)OC(=O)N[C@@]1(Cl)C[C@@H](C(F)(F)F)CN(c2ccccn2)C1 1081258144 YUOJUDISRULIQT-ABAIWWIYSA-N 379.810 3.930 0 30 GHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@@H](c2ccccc2)COS1(=O)=O 2265351510 CUGLEXAKYCYPFZ-BZZMCLGOSA-N 381.494 3.902 0 30 GHAC NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 4325110 UHZAOLOUYCYQIS-UHFFFAOYSA-N 397.456 3.557 0 30 GHAC Cn1c(CNC(=O)OC(C)(C)C)nnc1SCc1c(F)cccc1Cl 1040272 JPCZGGSXMYMPSF-UHFFFAOYSA-N 386.880 3.925 0 30 GHAC O=c1oc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(F)(F)F)cn1 1043028 HHOHBYNQLQBZMJ-UHFFFAOYSA-N 375.228 3.925 0 30 GHAC O=C(Nc1ccc(F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 20432103 IYHHZWFUZWWTQC-UHFFFAOYSA-N 382.361 3.984 0 30 GHAC CCOC(=O)c1c(S)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 1034583 FYEYJIQXALRCJX-UHFFFAOYSA-N 384.482 3.823 0 30 GHAC CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]ccc3c21 216384443 KIWINHVVYMEIQW-UHFFFAOYSA-N 388.374 3.825 0 30 GHAC CCOC(=O)CCCCCC[C@@H](C(=O)OCC)[C@@](O)(CCN)C1CCCCC1 33611261 CDYSXCIYAMJFMJ-SIKLNZKXSA-N 399.572 3.730 0 30 GHAC Cc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(Cl)c1 100242213 MEPMTVFJZYYKHY-MRXNPFEDSA-N 388.876 3.652 0 30 GHAC O=C(O)C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCOC1 400209022 OJNUTKRUPRODJZ-QFIPXVFZSA-N 381.428 3.549 0 30 GHAC C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccn2)s1 1034392 YKKCMYZBAQNCAQ-CYBMUJFWSA-N 399.497 3.736 0 30 GHAC O=C(N[C@@H](C[C@@H]1CCCCO1)C(=O)O)OCC1c2ccccc2-c2ccccc21 226811360 IENKRBITFINVRA-BTYIYWSLSA-N 395.455 3.938 0 30 GHAC CN(C)c1ccc(-n2nnnc2SCc2ccc(OC(F)(F)F)cc2)cc1 1028852 QWJFJDNJAPBVDO-UHFFFAOYSA-N 395.410 3.919 0 30 GHAC CSc1sc(C2=NN[C@](O)(C(F)(F)F)C2)c2c1C(=O)CCC2(C)C 1047184 JKSRRHGGPBTEQC-CQSZACIVSA-N 378.441 3.672 0 30 GHAC CN(CCNCC#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119640942 DPAGFZBNZTVKRV-OPKHLUCYSA-N 387.612 3.804 0 30 GHAC COC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)c2ccccc2)n1 4394745 JNWOFYVNIOHSLL-UHFFFAOYSA-N 379.441 3.975 0 30 GHAC CCOc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 15923359 TXHDMRAYYSONQK-UHFFFAOYSA-N 380.467 3.937 0 30 GHAC CCCCCCCCCCCCC[C@](CC(=O)O)(C(=O)O)S(=O)(=O)O 113615647 IIFCEJZRWBRACT-KRWDZBQOSA-N 380.503 3.873 0 30 GHAC COc1ccc2[nH]c(C(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cc2c1 1028907 BTHJSJWKKXLIKW-UHFFFAOYSA-N 381.451 3.664 0 30 GHAC CCOC(=O)C1CCN(C(=S)Nc2ccccc2OC(F)(F)F)CC1 1043284 WXBCARNEGIESHY-UHFFFAOYSA-N 376.400 3.557 0 30 GHAC CCN(CC)CCOC(=O)c1ccc(C)c(-n2c(C)nc3ccccc3c2=O)c1 137934311 JQNCNESAUDRUAU-UHFFFAOYSA-N 393.487 3.501 0 30 GHAC O=C(c1ccc(Cl)c(Cl)c1)c1nn2c(nc(=O)c3ccccc32)s1 1042587 OIZUTMBMPDDYGV-UHFFFAOYSA-N 376.224 3.842 0 30 GHAC CCCCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 34556699 UWYBFPJWSCJJIZ-FQEVSTJZSA-N 383.444 3.795 0 30 GHAC O=C(O)c1coc(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)n1 958748776 IAZZOFMTMJBHGE-UHFFFAOYSA-N 390.395 3.721 0 30 GHAC CCOC(=O)/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 4696956 NTGJGKASZVGABX-LFIBNONCSA-N 383.828 3.769 0 30 GHAC O=C(O)CC[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1 1535405651 JKHXXGWSFYCSNO-JOCHJYFZSA-N 381.428 3.549 0 30 GHAC C[S@@](=NS(=O)(=O)c1ccccc1)c1ncc(Cl)cc1C(F)(F)F 4361512 VHGFIJVRKXYZQZ-QFIPXVFZSA-N 382.816 3.933 0 30 GHAC C[C@@H]1CCc2c(sc3[nH]c(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1033739 PBAHCTNRARIJGN-SECBINFHSA-N 380.391 3.884 0 30 GHAC CN1CCN2c3c(cccc31)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 137099035 HOIIHACBCFLJET-RTWAWAEBSA-N 393.506 3.917 0 30 GHAC investigational CCOc1cc(Cl)c(C(=O)NC(=O)Oc2ccccc2)cc1-n1cccn1 1565503705 HNCDWTLRSXCTEG-UHFFFAOYSA-N 385.807 3.853 0 30 GHAC O=C(O)CCCCn1nc(C(=O)NC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc21 2265364086 CMCIJYXHEYJYQU-RXSOCDCMSA-N 395.503 3.990 0 30 GHAC OC1CCC(Oc2cccc3cnc(Nc4ccc5nc[nH]c5c4)nc23)CC1 230587600 FYWRWBSYRGSWIQ-UHFFFAOYSA-N 375.432 3.932 0 30 GHAC in-vitro COc1ccc(OC)c(CCOCCOCCc2cc(OC)ccc2OC)c1 4336803 DGGJSKDPGZQVLK-UHFFFAOYSA-N 390.476 3.539 0 30 GHAC CON=CC(=NNc1ccc(OC)cc1)C(=O)c1ccc(Br)cc1 254350008 IUUQTUWDKBWDNT-UHFFFAOYSA-N 390.237 3.741 0 30 GHAC CCOC(=O)c1c(SC)nc2ccc(Cl)cc2c1N1CCN(C)CC1 4364962 BRITVUZIGSAIDC-UHFFFAOYSA-N 379.913 3.539 0 30 GHAC CCn1c(C)[n+](CCCCS(=O)(=O)O)c2cc(C(F)(F)F)c(Cl)cc21 5140343 CCAPDUBSGCCVEZ-UHFFFAOYSA-O 399.842 3.597 0 30 GHAC CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3c(C)noc3C)cc2)c1C 4390261 GAAPOWRZHUACNH-UHFFFAOYSA-N 382.420 3.523 0 30 GHAC Ic1ccc(OCc2ccccc2)c(N2CCCC2)n1 142333292 GUMYOHHCQKILJN-UHFFFAOYSA-N 380.229 3.865 0 30 GHAC O=C(Nc1ccc(F)cc1F)N1CCN(c2ncccc2C(F)(F)F)CC1 19924671 DYVREAPPNKCMQP-UHFFFAOYSA-N 386.324 3.733 0 30 GHAC CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 607879 SKWBJBJQEUEFCY-ZDUSSCGKSA-N 394.393 3.790 0 30 GHAC in-man Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)cs1 1034757 DHFBYYWBYDZNFB-UHFFFAOYSA-N 394.499 3.752 0 30 GHAC C[C@@H]1C[C@@H](C)CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)C1 4297036 XCDSCWAYQOCMPY-HUUCEWRRSA-N 388.489 3.668 0 30 GHAC O=C(O)Cc1ccc(C(=O)CSc2nccc(-c3cccs3)n2)s1 4324993 VGDUZRUBFADCTK-UHFFFAOYSA-N 376.484 3.869 0 30 GHAC O=C(NC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1 1046456 BKGLPNLEGUMLAB-UHFFFAOYSA-N 390.075 3.547 0 30 GHAC Cn1cc(Br)c(-c2cccc(N3C(=O)CC(C)(C)CC3=O)c2)n1 4324788 MQFYEGCZWCXDFY-UHFFFAOYSA-N 376.254 3.529 0 30 GHAC O=C(CCCN1CCN(C(=O)OC2CCCCC2)CC1)c1ccc(F)cc1 31545115 OCHNIEZVJROLLV-UHFFFAOYSA-N 376.472 3.876 0 30 GHAC in-man CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)cc1)C(F)(F)F 4343654 PFBSLGSALRGGOF-KRWDZBQOSA-N 382.338 3.644 0 30 GHAC O=S(=O)(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccc(F)cc1 15923240 AVBUBXLCRJIBOT-UHFFFAOYSA-N 398.872 3.690 0 30 GHAC COc1ccc(NC(=O)C(Cl)=C(Cl)[S@](=O)Cc2ccc(C)cc2)cn1 2265276208 UKBGNIASULYWLD-RUZDIDTESA-N 399.299 3.933 0 30 GHAC CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CC3CCC(CC3)C2)cc1 1036259 HKTQOOXXOJKOIL-UHFFFAOYSA-N 392.565 3.760 0 30 GHAC COCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 5997812 ZFCWJUKNOSHVCS-UHFFFAOYSA-N 375.035 3.765 0 30 GHAC COc1ccccc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1046547 VFUVFQZVTQAYCE-UHFFFAOYSA-N 395.381 3.948 0 30 GHAC Cc1oc(-c2cccs2)cc1C(=O)NCCNc1nccc(C(F)(F)F)n1 4299525 SCEBKPISLMNBKV-UHFFFAOYSA-N 396.394 3.967 0 30 GHAC CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1Cl 1033715 TUUPLSDVZCIFLV-OAHLLOKOSA-N 397.814 3.704 0 30 GHAC CCOc1ccc(-n2c(C)c(C(=O)N3CCOCC3)c3cc(OC)ccc32)cc1 21149241 HJWIOTONNLQESI-UHFFFAOYSA-N 394.471 3.819 0 30 GHAC CCOC(=O)/C(=C(/C)Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 4299688 HKBVMUNJOFXTIR-HJHGFDQJSA-N 396.418 3.654 0 30 GHAC COc1ccc(-c2nc(OCC(F)(F)F)nn2-c2ccc(OC)cc2)cc1 142185472 YBEGHAAVDAFSSE-UHFFFAOYSA-N 379.338 3.893 0 30 GHAC O=C(NC1CCN(Cc2ccccc2)CC1)C1=Cc2cc(Cl)ccc2OC1 4324325 PVHNLUWWUGBJOG-UHFFFAOYSA-N 382.891 3.897 0 30 GHAC CC1(C)C[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CCO1 226773206 UDECQJCABKIMEG-HSZRJFAPSA-N 395.455 3.938 0 30 GHAC Cn1nc(C(F)(F)F)cc1OS(=O)(=O)c1ccc(Cl)cc1Cl 2147733 WSKVFFVAWQDHDA-UHFFFAOYSA-N 375.155 3.513 0 30 GHAC COc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(OC)c1 1023485 AXUCAELXNWIOIT-UHFFFAOYSA-N 396.515 3.998 0 30 GHAC CCOC(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1 4324366 ZRJYAJAXLYEXPJ-UHFFFAOYSA-N 387.457 3.550 0 30 GHAC OC(c1ccccc1)(c1ccccc1)c1nnc(S)n1-c1ccc(F)cc1 4299826 NKHVLKTZMSQVQL-UHFFFAOYSA-N 377.444 3.979 0 30 GHAC N[C@@](CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 21301542 KGUHHPRYBKNVGO-XMMPIXPASA-N 387.435 3.671 0 30 GHAC COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1043424 AXQYXLRZXSAVLE-UHFFFAOYSA-N 392.383 3.962 0 30 GHAC O=C(N1CC(Oc2ccc(Cl)cc2)C1)N1CC(Oc2ccc(Cl)cc2)C1 1036908 JWTADZHLOIUOKR-UHFFFAOYSA-N 393.270 3.940 0 30 GHAC COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)CCC(=O)O 3841522 ZLTHBTQPHVRJGL-UHFFFAOYSA-N 383.809 3.784 0 30 GHAC CCOC(=O)Nc1c2sscc-2n(-c2ccc(OC)cc2OC)c1=O 139119066 AMCAPQWQGFPEIV-UHFFFAOYSA-N 380.447 3.651 0 30 GHAC O=C(CSCc1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 1032880 RZMSDGALZJBCEE-UHFFFAOYSA-N 383.391 3.984 0 30 GHAC O=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCSCC1 1023915 XOGSDHGZDPMHDQ-UHFFFAOYSA-N 397.168 3.555 0 30 GHAC O=C(CSc1nc2ccccc2c(=O)n1-c1cccnc1)c1cccs1 1023531 YSLVBMWNBHZLDK-UHFFFAOYSA-N 379.466 3.817 0 30 GHAC O=C1c2ccccc2[C@@]2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NCCN12 20446173 UYGSTBVLPIFNCD-INIZCTEOSA-N 386.295 3.984 0 30 GHAC COc1ccc(Oc2c(I)c(=O)[nH]c3ccccc23)cc1 139280057 VRBJRYAVGFVLMM-UHFFFAOYSA-N 393.180 3.934 0 30 GHAC Cc1ccc([C@H]2OC[C@@H]3O[C@H](c4ccc(C)c(C)c4)O[C@H](CO)[C@@H]3O2)cc1C 223507764 ZOWZWHMCIRRSTI-OOYIDZMOSA-N 384.472 3.809 0 30 GHAC O=C1/C(=C/c2cc(Br)ccc2F)S[C@@H]2N[C@@H]3CCCC[C@H]3N12 575447726 OCWYYOFDSLWUPG-SYBMUNDDSA-N 383.286 3.703 0 30 GHAC CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)OCc3ccccc3)c2C1 1038069 PEWDMVMSLFFBOB-UHFFFAOYSA-N 392.498 3.664 0 30 GHAC CCOC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)O)ccc1N1CCCCC1 1030591 GJHWCVYDXZKZSF-UHFFFAOYSA-N 390.480 3.683 0 30 GHAC CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccc(Br)cc1 95845468 DIUHLSNBUJPEQZ-CXAGYDPISA-N 384.270 3.763 0 30 GHAC O=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1032807 PESLFLRBJMANIW-UHFFFAOYSA-N 398.406 3.646 0 30 GHAC COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1ccc3c(c1)OCCO3)CC2 1033238 ILBHZMZTBYTMMD-CYBMUJFWSA-N 384.432 3.626 0 30 GHAC C[C@H]1CCc2c(sc3[nH]c(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1033738 PBAHCTNRARIJGN-VIFPVBQESA-N 380.391 3.884 0 30 GHAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(NC(=O)COCC(=O)O)cc2)n1 4390534 VQBXTJLHOVZCPX-UHFFFAOYSA-N 387.480 3.507 0 30 GHAC CSc1sc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)C(C)C 1038560 IEJREUONVLWXTM-UHFFFAOYSA-N 381.544 3.855 0 30 GHAC CCCc1c(C(=O)NCc2ccc(OC)c(OC)c2)cnn1-c1ccccc1 1032256 GCTMEBFLWLDANO-UHFFFAOYSA-N 379.460 3.772 0 30 GHAC O=S(=O)(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccccc1 13657812 LVTRGMZWIGCVML-UHFFFAOYSA-N 380.882 3.551 0 30 GHAC O=C(O)[C@H]1N[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)Cc2ccccc21 96329102 ZCQLLVWEFAHPJL-PKTZIBPZSA-N 399.446 3.682 0 30 GHAC CCN(CC)c1ccccc1NC(=O)c1cc(O)c(Br)c(O)c1 5316482 GWBLGMCMQCZIAU-UHFFFAOYSA-N 379.254 3.959 0 30 GHAC CCOC(=O)Cc1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 1033900 GZQXKSQSVOBOMY-UHFFFAOYSA-N 389.355 3.791 0 30 GHAC C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 1034175 UOANLICOERCLRY-LLVKDONJSA-N 384.379 3.631 0 30 GHAC C[S@@](=O)(=NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1 13466155 HNEUGCTVASMECL-QHCPKHFHSA-N 378.500 3.656 0 30 GHAC CC[C@@H](C)CNC(=S)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20224005 QCSGFMSHOCQNLY-LLVKDONJSA-N 394.894 3.796 0 30 GHAC O=C(N[C@H](Cc1cncs1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320936 FSZBNXUXDFKAHT-LJQANCHMSA-N 394.452 3.678 0 30 GHAC CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 26977254 IVSSCLNOPSKRLX-GOSISDBHSA-N 385.471 3.974 0 30 GHAC COc1ccc(C(=O)N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cc1 4324586 IDBOSNPKJQSICK-UHFFFAOYSA-N 395.478 3.706 0 30 GHAC O=C(Nc1ccccc1)N1CCCN(c2nc(-c3ccccc3)ns2)CC1 1023494 YOFAHJGHHKJJBE-UHFFFAOYSA-N 379.489 3.949 0 30 GHAC COc1ccc(-c2c3c(c(O)c4cc5c(cc24)OCO5)COC3=O)cc1OC 1574725 ZYUVOQCJYNAWNV-UHFFFAOYSA-N 380.352 3.629 0 30 GHAC biogenic,in-vitro COc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1OC 100370403 PCIWCYUKRZFCMF-REPLKXPHSA-N 380.488 3.629 0 30 GHAC in-man O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F 204067615 JGPXDNKSIXAZEQ-BPRQEBPCSA-N 399.401 3.599 0 30 GHAC S=c1[nH]nc(N2CC=CC=C2Cc2cccc(I)c2)o1 207853973 NBIHYEZNODDYTO-UHFFFAOYSA-N 397.241 3.840 0 30 GHAC CC(C)c1cccc(OC(=O)N(C)[S@@](=O)OCCCc2cccnc2)c1 5314880 NVOQVVNJGWVVKC-AREMUKBSSA-N 376.478 3.864 0 30 GHAC N=C(NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cn1 17888680 IYHUFRHPJYLBDV-UHFFFAOYSA-N 377.244 3.754 0 30 GHAC O=C(O)C[C@@H]1CSCCN1C(=O)OCC1c2ccccc2-c2ccccc21 97683854 QLSIZZDXLAUPQN-CQSZACIVSA-N 383.469 3.828 0 30 GHAC O=S(=O)(NCCSCc1c(F)cccc1Cl)c1c(F)cccc1F 3078912 LHXDGBCKJNYJIT-UHFFFAOYSA-N 395.855 3.969 0 30 GHAC CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)[C@H](C)CC)cc1 38806989 SLDIWPBQKFGJKM-QRWLVFNGSA-N 396.487 3.955 0 30 GHAC CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12 141600395 HOIIHACBCFLJET-LEWJYISDSA-N 393.506 3.917 0 30 GHAC investigational C[S@@](=O)(=NS(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cn1 13466303 GHONLDOSEPUMJC-QHCPKHFHSA-N 398.815 3.599 0 30 GHAC O=C(O)[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F 205378440 JGPXDNKSIXAZEQ-QPGDOINGSA-N 399.401 3.599 0 30 GHAC CCCCOC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 199746161 SYWUWLBVXBAURQ-NTUHNPAUSA-N 376.449 3.992 0 30 GHAC Cc1nn(C)c2c1S(=O)(=O)N=C(SCc1c(F)cccc1Cl)S2 1024106 GVHKGHYCPSFLNB-UHFFFAOYSA-N 391.902 3.605 0 30 GHAC CC(C)(C)OC(=O)Nc1cc2[nH]c(Br)c3cn[nH]c(=O)c(c1)c23 95938166 GJACWEUUXDQLAD-UHFFFAOYSA-N 379.214 3.514 0 30 GHAC Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(F)cc1 4332921 HYKMBRFUXWPWGW-UHFFFAOYSA-N 392.478 3.714 0 30 GHAC FC(F)(F)c1cccc(-n2c(Cn3nnc4ccccc43)n[nH]c2=S)c1 13658385 BUQKCEVOJNEAOW-UHFFFAOYSA-N 376.367 3.742 0 30 GHAC CCOC(=O)c1sc(CN2CCN(c3cccc(Cl)c3)CC2)nc1C 20224108 BJDGJSROSQGNRK-UHFFFAOYSA-N 379.913 3.604 0 30 GHAC COc1cc(OC)c(C(F)(F)F)cc1NC(=O)c1c(OC)cccc1OC 1048588 IOVDLQBXMWYHIJ-UHFFFAOYSA-N 385.338 3.992 0 30 GHAC O=C(CSc1ccc(OC(F)(F)F)cc1)NCc1ccc2c(c1)OCO2 4325162 HJCNFPUGUDEGHH-UHFFFAOYSA-N 385.363 3.722 0 30 GHAC CCc1cc(OC(=O)O)c(CCC(=O)[C@H]2CCCC2=O)c(CC)c1OC(=O)O 223525426 UFNWIYMBIWBNSC-AWEZNQCLSA-N 392.404 3.796 0 30 GHAC Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)cc1Cl 1045070 RUEOEXBUCHTDSB-HNNXBMFYSA-N 375.833 3.771 0 30 GHAC C[C@H]1CN(C(=O)NCCSCc2cccc(C(F)(F)F)c2)C[C@H](C)O1 2143908 FWGIJNWIOLSWLZ-STQMWFEESA-N 376.444 3.757 0 30 GHAC CCCc1c(C(=O)NCc2cc(F)cc3c2OCOC3)cnn1-c1ccccc1 1032465 JLPUJXKXCPQDCZ-UHFFFAOYSA-N 395.434 3.760 0 30 GHAC Cc1nc(I)ccc1Oc1ccnc(-c2cnn(C)c2)c1 1857792985 SSSIGXYPLKNONK-UHFFFAOYSA-N 392.200 3.582 0 30 GHAC O=S(=O)(NCCc1ccncc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1037851 LZFUUQFIJSRLEK-UHFFFAOYSA-N 398.328 3.640 0 30 GHAC CC(C)C(=O)Nc1nc(NC(=O)C(C)C)nc(-c2ccccc2C(F)(F)F)n1 1044848 XAVOAAUHYYQHEB-UHFFFAOYSA-N 395.385 3.746 0 30 GHAC COc1ccccc1N1CCN(CCOc2cccc3c2SCCC3)CC1 33894688 CKFZTRYKPWBKOO-UHFFFAOYSA-N 384.545 3.935 0 30 GHAC O=C(NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1nn(CCCCCO)c2ccccc12 2265364091 JHUVNYPOUNCRTP-XHICYHHKSA-N 381.520 3.898 0 30 GHAC CCOC(=O)N1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 1036202 JHADFSXAPWJCDB-UHFFFAOYSA-N 387.486 3.624 0 30 GHAC CC(C)n1cc(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc21 888090844 XIIVSTBIBLNMNU-UHFFFAOYSA-N 377.444 3.526 0 30 GHAC COC(=O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 96330812 LQQOVRLCVWTYHP-VXKWHMMOSA-N 394.515 3.551 0 30 GHAC CC1(C)CCc2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 19835039 QPHMLJNVGVZEOY-UHFFFAOYSA-N 394.515 3.837 0 30 GHAC CSc1cccc(NC(=S)N2CCCC[C@@H]2CCN2CCOCC2)c1 20412865 WOICHSZSCSSFHX-QGZVFWFLSA-N 379.595 3.682 0 30 GHAC Cc1cnc(C[S@](=O)c2nc3ccccc3[nH]2)c(C)c1OCC(F)(F)F 34114777 FPVRBOKLMQOBQO-AREMUKBSSA-N 383.395 3.824 0 30 GHAC C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccn2)s1 1034391 YKKCMYZBAQNCAQ-ZDUSSCGKSA-N 399.497 3.736 0 30 GHAC NN=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 254496762 BKWBVYNMMINVDM-UHFFFAOYSA-N 379.645 3.698 0 30 GHAC COc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccc(C)cc2)cc1 1028896 DVFOCCQHCXEVST-UHFFFAOYSA-N 384.501 3.733 0 30 GHAC C/C(=C\CN1CCCCC1)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1 33957206 MWHNODTWMFTNHL-CXUHLZMHSA-N 391.562 3.919 0 30 GHAC Cc1nnc(SCc2cc(Br)cc(Br)c2)nc1O 5177918 IZLWMTCWYVRHQR-UHFFFAOYSA-N 391.088 3.703 0 30 GHAC CC(C)(C)OC(=O)N1CCC(COc2cnc(-c3cccc(CO)c3)nc2)CC1 200892011 CNDMSKIQCSCCKB-UHFFFAOYSA-N 399.491 3.662 0 30 GHAC CCCCOC(=O)C[C@@H](SC(=S)N(CC)CC)C(=O)OCCCC 5821394 PWMKDAYGQYJJMT-CQSZACIVSA-N 377.572 3.792 0 30 GHAC CCC1(c2nccc3cc(Br)cc(F)c23)C(=O)OC(C)(C)OC1=O 958527392 KELVFFDKVUJLCN-UHFFFAOYSA-N 396.212 3.620 0 30 GHAC O=C(OCC1c2ccccc2-c2ccccc21)[C@@H]1Cc2ccccc2[C@@H](C(=O)O)N1 96329103 ZCQLLVWEFAHPJL-GOTSBHOMSA-N 399.446 3.682 0 30 GHAC O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C1CC1 399776614 IVFPTFDNRGYYQE-VQTJNVASSA-N 377.440 3.978 0 30 GHAC O=C(N[C@H](C(=O)O)[C@H]1CCCCO1)OCC1c2ccccc2-c2ccccc21 695037539 GQYQAVYSVDRPST-UXHICEINSA-N 381.428 3.547 0 30 GHAC Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 1033445 RQCSLVQRSXCPLV-UHFFFAOYSA-N 381.505 3.939 0 30 GHAC O=C1C[C@@H](Sc2ccccn2)C(=O)N1c1ccc(Cl)cc1Br 1041668 AVPXDHBHKZSJMV-GFCCVEGCSA-N 397.681 3.922 0 30 GHAC O=C(NCCc1cn(Cc2ccccc2)c2ccccc12)c1n[nH]c2c1CCC2 888088349 PGJMHAFJJVNTHL-UHFFFAOYSA-N 384.483 3.874 0 30 GHAC COc1cc2c(cc1OC)[C@@]1(C)N(CC2)C(C(C)=O)=NN1c1ccc(Cl)cc1 4335007 PSCSMJDUNQDMHD-NRFANRHFSA-N 399.878 3.811 0 30 GHAC CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)NCCNCCO 38652118 MXWVBGZSOBZROQ-ZAGZISDZSA-N 384.605 3.693 0 30 GHAC COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1047687 AKFHGDOGALKWEA-UHFFFAOYSA-N 395.380 3.543 0 30 GHAC Cc1ccc([C@@H]2OC[C@@H]3O[C@H](c4ccc(C)c(C)c4)O[C@H](CO)[C@@H]3O2)cc1C 223507699 ZOWZWHMCIRRSTI-BMXMUORJSA-N 384.472 3.809 0 30 GHAC COc1cc([C@H](CC(=O)O)CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC 4377493 WIIHPKAAFQLZGR-HNNXBMFYSA-N 387.432 3.608 0 30 GHAC CON=C[C@H]1C(=O)N(OCc2ccc(Cl)cc2Cl)C(=O)c2ccccc21 254749644 AVJOCMXQYKZJHM-OAHLLOKOSA-N 393.226 3.823 0 30 GHAC CCOC(=O)C=CCOc1c(Br)cc(Br)cc1C=O 2265279295 KUIYQPCPWUKYNX-UHFFFAOYSA-N 392.043 3.522 0 30 GHAC Cc1cc(S(=O)(=O)Cc2noc(-c3c(C)noc3C)n2)c(C)cc1Cl 1035014 ZZOBZENRICABDF-UHFFFAOYSA-N 381.841 3.586 0 30 GHAC COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSCC(=O)O 1034314 ZWVZQTJTZRBKCF-UHFFFAOYSA-N 399.877 3.611 0 30 GHAC C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nocc1C(=O)O 399822657 XLFBTSXXLPBQOV-GFCCVEGCSA-N 378.384 3.973 0 30 GHAC Cn1c(CSCC(=O)Nc2ccccc2)nnc1SCc1ccccc1 1039971 KLFOBGFRAPKHPC-UHFFFAOYSA-N 384.530 3.979 0 30 GHAC CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)c2ccc(C)cc2)cc1)C(F)(F)F 3099831 QUZUGXNEYKKTLP-LJQANCHMSA-N 395.377 3.585 0 30 GHAC Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCCC3)c3ccccc23)n1 1366882 YBXCAINCJZVIDV-UHFFFAOYSA-N 381.505 3.583 0 30 GHAC COCCOc1c(CNC2CCCCC2)c(C)nn1-c1ccc(F)cc1F 536555950 MDFMAXZVLPFJCP-UHFFFAOYSA-N 379.451 3.906 0 30 GHAC CCOCCN(C[C@@H](C)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 380916921 TWTCNYNZDRXDIG-MRXNPFEDSA-N 397.471 3.995 0 30 GHAC COc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccc(F)cc2)cc1 1028571 OVGZFOGEZIEAET-UHFFFAOYSA-N 388.464 3.564 0 30 GHAC CC(C)(C)OC(=O)N1C[C@H](Br)C[C@@H]1C(=O)OCc1ccccc1 34383003 BZRCQFJSGVBVKN-ZIAGYGMSSA-N 384.270 3.503 0 30 GHAC O=C(O)[C@@H]1CC[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]21 253186953 UAJLAZSJTNFIAL-XMCHAPAWSA-N 377.440 3.978 0 30 GHAC CSc1nc(C)cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc12 201526079 VIGZPODBNYIHDD-UHFFFAOYSA-N 375.574 3.935 0 30 GHAC O=C(CN1CCN(c2nc3cc(Cl)ccc3s2)CC1)Nc1ccccc1 63150930 CMYKRHZIBGQVFE-UHFFFAOYSA-N 386.908 3.710 0 30 GHAC O=C(O)COC1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 725240570 OHEXMIDEHWZARW-UHFFFAOYSA-N 395.455 3.938 0 30 GHAC O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(F)cc1F 1028719 WNGBHLBGUDUZKN-UHFFFAOYSA-N 383.276 3.964 0 30 GHAC COc1ccccc1CCCN(C)CCCCN1C(=O)c2ccccc2C1=O 21297557 VZYQUZIQMHXQQY-UHFFFAOYSA-N 380.488 3.636 0 30 GHAC COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)OC(C)(C)C 79018013 DVEFXAQUJXRVEC-AWEZNQCLSA-N 397.269 3.539 0 30 GHAC CCN(CC)CCOC(=O)c1cccc(C)c1-n1c(C)nc2ccccc2c1=O 2036000 XXTPEBWELRPMGA-UHFFFAOYSA-N 393.487 3.501 0 30 GHAC O=S(=O)(Nc1ccccc1N1CCOCC1)c1cc(Cl)sc1Cl 4333295 SDYCZTVFAQXVGM-UHFFFAOYSA-N 393.317 3.692 0 30 GHAC COC(=O)[C@@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 96482541 HZCWALJOVVPETG-PKTZIBPZSA-N 387.479 3.587 0 30 GHAC Cc1ccc2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)ccc2n1 4334842 KICGANUKTSFISL-KRWDZBQOSA-N 377.419 3.670 0 30 GHAC O=C(N[C@H](Cc1nccs1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320620 HBHYBVLFMJXMIX-GOSISDBHSA-N 394.452 3.678 0 30 GHAC CCCc1nc2ccnn2c(O)c1Cc1ccc(-c2ccccc2C(N)=O)cc1 100046908 MBNJQQVYWQAUCB-UHFFFAOYSA-N 386.455 3.744 0 30 GHAC CCOC(=O)C1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 4332800 KXGVSMSMQFEGSD-UHFFFAOYSA-N 392.805 3.572 0 30 GHAC CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccccc2)cc1)C(F)(F)F 4343656 PFBSLGSALRGGOF-QGZVFWFLSA-N 382.338 3.644 0 30 GHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@H](c2ccccc2)COS1(=O)=O 2265351511 CUGLEXAKYCYPFZ-LAVFITLUSA-N 381.494 3.902 0 30 GHAC Cn1cc(Cl)c([C@H]2NN=C(SCC(=O)c3ccc(Cl)cc3)S2)n1 3137735 KPVKFZMGZPCPNV-ZDUSSCGKSA-N 387.317 3.949 0 30 GHAC N=C(NC(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1)c1ccccc1 20230246 KQPNDNOBHFEJNS-UHFFFAOYSA-N 399.372 3.671 0 30 GHAC CCOC(=O)c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH]c1C 1047500 IVPBYLJLYFXJPA-UHFFFAOYSA-N 388.276 3.932 0 30 GHAC O=C(ON=C1CCS(=O)(=O)c2sccc21)c1ccc(Cl)cc1Cl 254875857 CEECJVYSRAXUIS-UHFFFAOYSA-N 390.269 3.793 0 30 GHAC O=C1/C(=C/c2cc(Br)ccc2F)S[C@@H]2N[C@H]3CCCC[C@@H]3N12 605679951 OCWYYOFDSLWUPG-WECWYZKFSA-N 383.286 3.703 0 30 GHAC COC(=O)c1sc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(OC)cc1 1026245 LBZVEWWTIOTVRX-UHFFFAOYSA-N 383.491 3.642 0 30 GHAC CCCc1cnc(N2CCCN(C(=S)Nc3ccc(C)cc3C)CC2)nc1 1048309 XXRNSVRKETVVDJ-UHFFFAOYSA-N 383.565 3.955 0 30 GHAC CCOC(=O)c1nc(-c2ccccc2)sc1-c1ccnn1C(=O)NC(C)C 1048019 NNLGMNXWSOJBOW-UHFFFAOYSA-N 384.461 3.816 0 30 GHAC NC(=O)C1CCN(C(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)o2)CC1 1034119 OEPNBMXUVJOABJ-UHFFFAOYSA-N 383.231 3.716 0 30 GHAC COC(=O)/C=C/[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 309685400 APROCWDFQXLHHA-HBWSCVEGSA-N 384.270 3.614 0 30 GHAC O=S(=O)(Cc1ccc(F)cc1)Cc1noc(-c2ccc(F)cc2Cl)n1 1047059 QSALYYQOGVPKBB-UHFFFAOYSA-N 384.791 3.783 0 30 GHAC CC1(C)C[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CCO1 226773209 UDECQJCABKIMEG-QHCPKHFHSA-N 395.455 3.938 0 30 GHAC Cc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2cnn(C(C)C)c2)cc1 1346266 WDXMZVUERSAQTE-UHFFFAOYSA-N 396.535 3.864 0 30 GHAC COc1ccc(/C=C/C(=O)OC[C@H](C)OC(=O)/C=C/c2ccc(OC)cc2)cc1 38636393 HKNBZMRXMRPLMG-PDPFPRFPSA-N 396.439 3.905 0 30 GHAC O=C(O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F 116144809 DQQPUNCZEKUXNJ-UHFFFAOYSA-N 399.385 3.768 0 30 GHAC COc1cc2c(cc1OC)[C@]1(C)N(CC2)C(C(C)=O)=NN1c1ccc(Cl)cc1 4335008 PSCSMJDUNQDMHD-OAQYLSRUSA-N 399.878 3.811 0 30 GHAC COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1 1029238 RVHJFZNWKSXFRO-UHFFFAOYSA-N 399.468 3.751 0 30 GHAC CCOC(=O)CCCCCC[C@H](C(=O)OCC)[C@](O)(CCN)C1CCCCC1 33611264 CDYSXCIYAMJFMJ-KNQAVFIVSA-N 399.572 3.730 0 30 GHAC Cc1nnsc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1C1CC1 1034108 CYEOXQZXEPXGOJ-UHFFFAOYSA-N 375.454 3.554 0 30 GHAC O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccc2ccccc2c1 19834834 VEKRREASWBWMEP-UHFFFAOYSA-N 388.515 3.779 0 30 GHAC O=C(c1ccc(F)cc1)N1CCCN(c2nc(-c3ccccc3)ns2)CC1 1029199 CWPSTLMYCFZOCS-UHFFFAOYSA-N 382.464 3.697 0 30 GHAC Cc1ccc(C(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)=NO)cc1 254628232 NOZXGYGSNGFYJO-NRFANRHFSA-N 379.504 3.515 0 30 GHAC CCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 4333306 FECJINMPSPGRKL-UHFFFAOYSA-N 388.851 3.943 0 30 GHAC CSc1nn(-c2ccccc2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 1037522 SDJNSWCIZYDZGW-UHFFFAOYSA-N 379.894 3.663 0 30 GHAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3[C@@H]3C(=O)O[C@@]32C1 2265352001 WTOZCOCDBCGJOV-LHHAAKMGSA-N 388.504 3.681 0 30 GHAC Cc1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)cc1Cl 4336831 YQOFKDPHJHSXRL-UHFFFAOYSA-N 392.952 3.900 0 30 GHAC O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 725240623 RRWHOAHYHWXGET-UHFFFAOYSA-N 381.428 3.501 0 30 GHAC O=C(c1cccs1)c1nn(-c2ccccc2)c2nc(=O)cc(-c3ccccc3)n12 1035565 NVPQMFIDKFDOCK-UHFFFAOYSA-N 398.447 3.840 0 30 GHAC COc1cccc2c1C[C@](NC(=O)OCC(C)C)(C(=O)OC(C)(C)C)CC2 36424289 ZDKRTMNHQYQDAY-NRFANRHFSA-N 377.481 3.647 0 30 GHAC O=C(CSC1=NCCS1)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 1032768 SISYAAJCDSVDPV-HNNXBMFYSA-N 399.463 3.992 0 30 GHAC Cc1nc(-c2ccc(C(N)=O)cc2)ncc1-c1nsc(Nc2ccccc2)n1 1039515 SZRCBQAAEALNQG-UHFFFAOYSA-N 388.456 3.813 0 30 GHAC FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)nc1 4302807 YIGORBTYHVKQHP-UHFFFAOYSA-N 387.409 3.813 0 30 GHAC CON=CC(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 254495807 QYKUNSVUWFMPOT-UHFFFAOYSA-N 380.231 3.819 0 30 GHAC COC(=O)c1cc(C)nc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)n1 3046160 HDMQLCGRQKWCIU-UHFFFAOYSA-N 396.259 3.815 0 30 GHAC COc1ccc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F 1031305 BJRZAFBUPLMSRH-UHFFFAOYSA-N 388.729 3.736 0 30 GHAC O=S(=O)(NCc1csc(-c2cccs2)n1)c1cccc2cccnc12 1034802 CKDVZUPBWIJILY-UHFFFAOYSA-N 387.511 3.898 0 30 GHAC COc1cc(CC[C@H](C)NC(=O)c2ccco2)ccc1OC(=O)c1ccco1 1037023 DAJHWCFJZKGXPL-AWEZNQCLSA-N 383.400 3.852 0 30 GHAC O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1I 1040966 BHACKNZMMWPJCJ-UHFFFAOYSA-N 393.633 3.745 0 30 GHAC CC1(C)CC(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)nc2C1 4351141 QOAPRCBDPOYLES-UHFFFAOYSA-N 377.416 3.641 0 30 GHAC CC(=O)Nc1ccc(OCC(=O)N[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 72266847 SKWBJBJQEUEFCY-CYBMUJFWSA-N 394.393 3.790 0 30 GHAC in-man CCc1c([C@H](O)CN2CCN(c3cccc(OC)c3)CC2)oc2ccccc12 33895756 JQABUFVFTNBECN-OAQYLSRUSA-N 380.488 3.859 0 30 GHAC O=C1C[C@H](Sc2ccccn2)C(=O)N1c1ccc(Cl)cc1Br 100206685 AVPXDHBHKZSJMV-LBPRGKRZSA-N 397.681 3.922 0 30 GHAC O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1C(=O)NCC1CC1 1042611 UWJFVERXCVXTBJ-UHFFFAOYSA-N 389.814 3.581 0 30 GHAC Cc1ccc(Cl)cc1NC(=S)NCCNc1nccc(C(F)(F)F)n1 3467448 XWEWRTKGZWLMGA-UHFFFAOYSA-N 389.834 3.856 0 30 GHAC O=C(O)CCCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1 1033970 XDBLDXDHWLYIHR-UHFFFAOYSA-N 386.795 3.664 0 30 GHAC CCOCCN(C[C@H](C)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 380916920 TWTCNYNZDRXDIG-INIZCTEOSA-N 397.471 3.995 0 30 GHAC CCN(Cc1ccc(OC)cc1OC)C(=O)c1cnc(OC)cc1C(F)(F)F 1042982 RVBVSPHLAVCNOL-UHFFFAOYSA-N 398.381 3.789 0 30 GHAC CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@@H](O)C(C)(C)O2 22006584 XLIIRNOPGJTBJD-ZWKOTPCHSA-N 391.826 3.685 0 30 GHAC O=C(O)C[C@@H]1CC2(CO1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 725241633 KIWUJPUTXRCSAD-OAHLLOKOSA-N 393.439 3.501 0 30 GHAC O=C(O)COCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1535545206 MNYYZPAXOZUISN-UHFFFAOYSA-N 395.455 3.749 0 30 GHAC COc1ccc(C(NCCOCCO)(c2ccccc2)c2ccccc2)cc1 43163796 WEMSSXBBSKUCPK-UHFFFAOYSA-N 377.484 3.586 0 30 GHAC COc1cc([C@@H](CC(=O)O)CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC 4377494 WIIHPKAAFQLZGR-OAHLLOKOSA-N 387.432 3.608 0 30 GHAC Cc1ccc(Oc2ncccc2NS(=O)(=O)c2cn(C)c(C)n2)c2c1CCC2 4297060 GDXSSYWWHTWESP-UHFFFAOYSA-N 398.488 3.514 0 30 GHAC Cc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)ccc2n1 1035213 KICGANUKTSFISL-QGZVFWFLSA-N 377.419 3.670 0 30 GHAC c1ccc(C[C@@H](NCCN2CCN(c3nccs3)CC2)c2ccccc2)cc1 22029353 ABLCRXQOSPHRDJ-JOCHJYFZSA-N 392.572 3.839 0 30 GHAC CCN(Cc1cc(OC)cc(OC)c1)C(=O)c1c(C(F)(F)F)ccnc1OC 4383020 GYVSNSDYMQZVHC-UHFFFAOYSA-N 398.381 3.789 0 30 GHAC Cc1nc2ccccn2c1-c1ccnc(SCC(=O)Nc2ccc(F)cc2)n1 1033298 VDWXSIRPJNZLQO-UHFFFAOYSA-N 393.447 3.970 0 30 GHAC CC(C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(N(C)C)cc2)cc1 1029685 XEINWPRKNPLSKD-UHFFFAOYSA-N 396.520 3.583 0 30 GHAC CCOC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ccc(C)cc1)C(F)(F)F 4336765 DXWIDLKBGXTQAX-LJQANCHMSA-N 394.393 3.967 0 30 GHAC CN1CCN(CCCN2c3ccccc3[S@](=O)c3ccc(Cl)cc32)CC1 21981330 AZGYHFQQUZPAFZ-AREMUKBSSA-N 389.952 3.596 0 30 GHAC biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)[C@H](C)CC)cc1 38806997 LGSUYZQHULPUKQ-DYVFJYSZSA-N 388.489 3.708 0 30 GHAC Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)cc1Cl 20223283 RUEOEXBUCHTDSB-OAHLLOKOSA-N 375.833 3.771 0 30 GHAC CC(=NNc1ccc(OC(F)(F)F)cc1)C(=NO)C(=O)Nc1ccccc1 254500278 WMFLQNISBWTCFH-UHFFFAOYSA-N 380.326 3.842 0 30 GHAC CCCC[C@@](C)(O)C/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC 27638650 OJLOPKGSLYJEMD-OPFAKMTLSA-N 382.541 3.954 0 30 GHAC in-vitro COc1c2c(c(-c3ccc4c(c3)OCO4)c3cc4c(cc13)OCO4)C(=O)OC2 14640949 BBROIWXMVHRRMJ-UHFFFAOYSA-N 378.336 3.643 0 30 GHAC biogenic O=S(=O)(NCc1csc2ccc(Cl)cc12)c1cccc2nonc12 1032481 XRFXITDRKAFFNI-UHFFFAOYSA-N 379.850 3.569 0 30 GHAC O=C(c1ccc2c(c1)OCO2)N1CCN(C2c3ccccc3-c3ccccc32)CC1 19835166 NZLFDFOANXWLQM-UHFFFAOYSA-N 398.462 3.943 0 30 GHAC CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(C(F)(F)F)cc1)C(=O)C2 100381008 SEHQQNBIOCOQDG-WMLDXEAASA-N 389.439 3.520 0 30 GHAC COc1ccc(-n2ncc(NC(=O)Nc3ccc4c(c3)OCCCO4)c2C)cc1 1035606 QWVNFPRUHLTLMT-UHFFFAOYSA-N 394.431 3.995 0 30 GHAC O=C1CCN(Cc2cc(F)cc(F)c2)CCN1Cc1ccc(C(F)(F)F)nc1 19616111 BLHRVPFTBJAACY-UHFFFAOYSA-N 399.363 3.613 0 30 GHAC COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2CCOC(=O)C2CC2)cc1 4389026 WECUAKBLGGIEME-FYYLOGMGSA-N 390.483 3.972 0 30 GHAC CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N=C2O)o1 39127189 ITVCFYZJZJERDP-FLIBITNWSA-N 393.827 3.810 0 30 GHAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3[C@H]3C(=O)O[C@]32C1 2265351999 WTOZCOCDBCGJOV-FOUQSELUSA-N 388.504 3.681 0 30 GHAC Cn1c(CCNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)nc2ccccc21 952962448 ADPJFORVRBSXJA-UHFFFAOYSA-N 377.488 3.578 0 30 GHAC COc1ccc(NC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(OC)c1 729546594 VNILHWNOZWITDN-CQSZACIVSA-N 393.484 3.567 0 30 GHAC O=C(N[C@@H](C(=O)O)c1ccns1)OCC1c2ccccc2-c2ccccc21 404443722 BQGNEFSMHAUMNU-GOSISDBHSA-N 380.425 3.808 0 30 GHAC COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)O)cc1OC 1027699 XPPQGDPQFBHQHL-UHFFFAOYSA-N 385.294 3.553 0 30 GHAC O=S(=O)(c1cc(Cl)sc1Cl)N1C=CC(C(F)(F)F)=NCC1 1028496 WLOFSWYHDAJMCE-UHFFFAOYSA-N 379.212 3.576 0 30 GHAC O=C(CCCl)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 254740215 OFKFDTYDHZZONE-UHFFFAOYSA-N 377.227 3.763 0 30 GHAC COc1ccc(Br)c(C(=O)NC(=S)Nc2ccc(F)cc2)c1 1042256 LJUTVBPROSWPPP-UHFFFAOYSA-N 383.242 3.724 0 30 GHAC O=C1[C@@H]2[C@@H](ON(Cc3ccccc3)[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1 254414471 HZMSYRZEXJWYIO-RJGXRXQPSA-N 398.462 3.729 0 30 GHAC COC(=O)c1oc(NC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OC 39127003 JGRZFYUDPNCSGT-UHFFFAOYSA-N 376.365 3.638 0 30 GHAC CCN(CC)CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)c(C)c1 2027326 ZFJSLLRZXRZGEG-UHFFFAOYSA-N 393.487 3.501 0 30 GHAC Cc1nn(S(=O)(=O)c2ccc(-c3ccccn3)s2)c(C)c1Br 1038127 AQBUTOWLSGYAPV-UHFFFAOYSA-N 398.307 3.623 0 30 GHAC Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)c(C)cc1Cl 1042614 GIZZQIGENRTOQM-UHFFFAOYSA-N 392.908 3.897 0 30 GHAC CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 604933950 JWWXCJWGGRXLPO-MTBWUKQNSA-N 388.504 3.992 0 30 GHAC CC(=O)SCCCCCCCCCCCOCCOCCOCCO 22061793 YDADHEIFTCDFFX-UHFFFAOYSA-N 378.575 3.819 0 30 GHAC in-vitro COc1cc2nc(NC(=O)c3ccc(F)cc3Cl)sc(=O)c2cc1OC 1029499 VDYZKZUXNOXOHG-UHFFFAOYSA-N 394.811 3.719 0 30 GHAC COc1ccc(NC(=O)C(Cl)=C(Cl)[S@](=O)Cc2ccccc2)cn1 2265276223 XNTUIWIKFGPDFS-XMMPIXPASA-N 385.272 3.624 0 30 GHAC Cc1c(-c2nc(-c3ccc(OS(=O)(=O)N(C)C)cc3)no2)oc2ccccc12 3139079 SSRHMEXSCMOEJI-UHFFFAOYSA-N 399.428 3.643 0 30 GHAC COC(Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1)OC 1031601 JJYULLDZGBYAKC-UHFFFAOYSA-N 383.473 3.539 0 30 GHAC COc1ccc(-c2ccnc(SCC(=O)NC3Cc4ccccc4C3)n2)cc1 1040253 BKQBGHZMAHHQJM-UHFFFAOYSA-N 391.496 3.528 0 30 GHAC O=C(N[C@H](c1cccc2ccccc12)n1nnc2ccccc21)c1cccnc1 238790203 BIDMTCCANZCVQG-QFIPXVFZSA-N 379.423 3.956 0 30 GHAC CCCn1c(=O)c2c(nc(/C=C/c3ccc(C)c(C)c3)n2C)n(CCC)c1=O 33984686 KMTYQFILBBQBBB-ZHACJKMWSA-N 380.492 3.504 0 30 GHAC COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 1029073 YDESLWAAXKEVSW-UHFFFAOYSA-N 380.274 3.951 0 30 GHAC O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 4365143 CQWOTSXMNQIDII-UHFFFAOYSA-N 395.846 3.579 0 30 GHAC O=C(c1ccc2nonc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20443750 LMDWQESLWKYSPS-UHFFFAOYSA-N 398.466 3.770 0 30 GHAC CC(C)(CC(=O)O)CC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 4334649 RIXWATQTCFQICX-UHFFFAOYSA-N 392.499 3.792 0 30 GHAC FC(F)(F)c1cc(-c2noc(CN3CCOCC3)n2)cc(C(F)(F)F)c1 20414171 AMEOAPKONYKSIA-UHFFFAOYSA-N 381.276 3.606 0 30 GHAC O=C(Nc1ccccc1N1CCCC1)c1cc(O)c(Br)c(O)c1 33607586 JERQMMFDQOYDSE-UHFFFAOYSA-N 377.238 3.713 0 30 GHAC CCc1ccccc1-n1c(SC[C@@H](O)C(F)(F)F)nc2ccccc2c1=O 1034414 SYSGQSFGVNBHAW-MRXNPFEDSA-N 394.418 3.963 0 30 GHAC O=C(N[C@@H](Cc1cc[nH]c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 231416507 QDDIKVNUBOXYKQ-FQEVSTJZSA-N 376.412 3.549 0 30 GHAC Cc1nn(C)c2sc(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc12 1025818 GAUGURFBIFTLSK-UHFFFAOYSA-N 377.473 3.576 0 30 GHAC Nc1nccc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)n1 1040621 PUYMMCSOTSHPBL-UHFFFAOYSA-N 394.378 3.545 0 30 GHAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3[C@H]3C(=O)O[C@@]32C1 2265352000 WTOZCOCDBCGJOV-JKNLYNEWSA-N 388.504 3.681 0 30 GHAC O=C(N[C@@H](C(=O)O)c1cscn1)OCC1c2ccccc2-c2ccccc21 231903969 LTSBULMUGXSSFY-GOSISDBHSA-N 380.425 3.808 0 30 GHAC COc1ccc(OC[C@H](O)CNC(=O)c2sc3ccccc3c2Cl)cc1 1032791 BOBHLLLLWMISHZ-GFCCVEGCSA-N 391.876 3.733 0 30 GHAC CCCCCCCCCCCCC[C@@](CC(=O)O)(C(=O)O)S(=O)(=O)O 113615644 IIFCEJZRWBRACT-QGZVFWFLSA-N 380.503 3.873 0 30 GHAC CCOC(=O)c1cnn(-c2ccc(NC(=O)C(F)(F)F)cc2)c1C(F)(F)F 1027111 VRODORBRWNQZNJ-UHFFFAOYSA-N 395.259 3.569 0 30 GHAC Cn1ncc(Br)c1NC(=O)Nc1ccc(OC(F)(F)F)cc1 1027694 VPPPOBLLGDYDFY-UHFFFAOYSA-N 379.136 3.725 0 30 GHAC O=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccc2c(c1)CCO2 1032479 DWYFGTLOAXTVOH-UHFFFAOYSA-N 379.890 3.968 0 30 GHAC O=C(N[C@H](C(=O)O)c1cscn1)OCC1c2ccccc2-c2ccccc21 231903965 LTSBULMUGXSSFY-SFHVURJKSA-N 380.425 3.808 0 30 GHAC O=C(O)C[C@H]1SC(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)=NC1=O 4307632 OYVSGKHNFDDUPF-GFCCVEGCSA-N 396.346 3.756 0 30 GHAC CC(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2[nH]cnc2n1 2381468 YWKXGPPEBHDNGM-UHFFFAOYSA-N 388.387 3.648 0 30 GHAC C[C@H](O)CCCn1nc(C(=O)NC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc21 2265364098 RTBQZNKCFFBCBJ-GCVACSITSA-N 381.520 3.896 0 30 GHAC C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nocc1C(=O)O 309802779 XLFBTSXXLPBQOV-LBPRGKRZSA-N 378.384 3.973 0 30 GHAC CCOC(=O)CN(Cc1ccccc1)C[C@H]1CCCCN1C(=O)OC(C)(C)C 888084811 XVGUDSZDATUKCW-LJQANCHMSA-N 390.524 3.841 0 30 GHAC C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCOCC1 685945721 VQYOJEXPQLQPOI-OAHLLOKOSA-N 395.455 3.795 0 30 GHAC O=C(O)C[C@@H]1SC(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)=NC1=O 4307631 OYVSGKHNFDDUPF-LBPRGKRZSA-N 396.346 3.756 0 30 GHAC C[C@H]1C[C@@H](C)CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)C1 4297034 XCDSCWAYQOCMPY-GASCZTMLSA-N 388.489 3.668 0 30 GHAC O=C(CSc1nccc(C(F)(F)F)n1)Nc1ccc(Br)cc1 1023319 BSXXEEFLNGQABR-UHFFFAOYSA-N 392.200 3.989 0 30 GHAC O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@H](Cn2cccc2)C1 36047522 CQMUUCFAYCAUIQ-LLVKDONJSA-N 379.334 3.957 0 30 GHAC Cn1sc(=O)c2cc(S(=O)(=O)Oc3ccc(Cl)cc3Cl)ccc21 3137927 VXLNMVBPCRJLEZ-UHFFFAOYSA-N 390.269 3.675 0 30 GHAC O=C(O)c1nccnc1C(=O)Nc1cc(Cl)c(-n2cccc2)cc1Cl 4307500 DUFPAOIMPYDNGA-UHFFFAOYSA-N 377.187 3.525 0 30 GHAC O=C1c2ccccc2[C@]2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)NCCN12 20446168 UYGSTBVLPIFNCD-MRXNPFEDSA-N 386.295 3.984 0 30 GHAC CN(C)C=C(C(=O)c1cc(F)c(F)cc1Cl)S(=O)(=O)c1ccccc1 6183121 YJEWEJKSWKQUCT-UHFFFAOYSA-N 385.819 3.678 0 30 GHAC Cc1ccc(C(CN2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)=NO)cc1 254628242 NOZXGYGSNGFYJO-OAQYLSRUSA-N 379.504 3.515 0 30 GHAC NC(=O)C1=CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F 1042992 ZSJOVMDJGBOHRZ-SECBINFHSA-N 382.169 3.779 0 30 GHAC CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1 1365212 OVXCFSICEOEBJW-UHFFFAOYSA-N 392.337 3.853 0 30 GHAC O=C(N[C@@H](Cc1nccs1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320619 HBHYBVLFMJXMIX-SFHVURJKSA-N 394.452 3.678 0 30 GHAC CC(C)(C)OC(=O)N[C@]1(Cl)C[C@H](C(F)(F)F)CN(c2ccccn2)C1 1081258151 YUOJUDISRULIQT-XHDPSFHLSA-N 379.810 3.930 0 30 GHAC CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1 1037021 ZRJMKKPLNABWTQ-UHFFFAOYSA-N 378.516 3.948 0 30 GHAC O=C(O)c1ccccc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 4334483 QMPDHOZLFFXXDW-UHFFFAOYSA-N 398.462 3.913 0 30 GHAC CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)n2Cc2ccccc2)cc1 299754755 OMSUZAJXALTKDO-UHFFFAOYSA-N 383.473 3.604 0 30 GHAC C[C@@H]1C(=O)N(C)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc21 100217950 OVGJLPJFIOTOHD-VIFPVBQESA-N 385.272 3.874 0 30 GHAC COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(Cl)cccc1Cl 1043349 BOFCYVBBPLZUSM-MRXNPFEDSA-N 391.254 3.989 0 30 GHAC Cc1c(N[C@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl 143945694 XMBUPPIEVAFYHO-SGTLLEGYSA-N 393.834 3.976 0 30 GHAC in-vitro C[C@@H](O)CCCn1nc(C(=O)NC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc21 2265364099 RTBQZNKCFFBCBJ-GFFYFEELSA-N 381.520 3.896 0 30 GHAC Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c(C)c1 1029987 IZTWDVIZDRDIQB-UHFFFAOYSA-N 387.896 3.972 0 30 GHAC Cc1ccc(S(=O)(=O)CCN(Cc2cccnc2)C(=O)c2ccccc2)cc1 1038165 ADSMJDARLPUOCU-UHFFFAOYSA-N 394.496 3.506 0 30 GHAC FC(F)(F)c1ccnc(N2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 4302812 HPXUSKRZKGYULE-UHFFFAOYSA-N 387.409 3.813 0 30 GHAC O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)Nc1ccccc1 3126030 VLKFKRGBWIRBBH-UHFFFAOYSA-N 380.351 3.881 0 30 GHAC CCCCOC(=O)C[C@H](SC(=S)N(CC)CC)C(=O)OCCCC 5821386 PWMKDAYGQYJJMT-AWEZNQCLSA-N 377.572 3.792 0 30 GHAC COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)C(=O)[C@H](C)[C@H](C)C3)OCO2 14692460 ZPDDZABRYUKCAW-GHMZBOCLSA-N 398.411 3.839 0 30 GHAC biogenic O=C(O)C[C@H]1CSCCN1C(=O)OCC1c2ccccc2-c2ccccc21 97683852 QLSIZZDXLAUPQN-AWEZNQCLSA-N 383.469 3.828 0 30 GHAC C[S@](=O)(=NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1 100218056 HNEUGCTVASMECL-HSZRJFAPSA-N 378.500 3.656 0 30 GHAC Cn1cc(Cl)c([C@@H]2NN=C(SCC(=O)c3ccc(Cl)cc3)S2)n1 3137736 KPVKFZMGZPCPNV-CYBMUJFWSA-N 387.317 3.949 0 30 GHAC O=C(CS(=O)(=O)Cc1c(F)cccc1Cl)Nc1ccc(F)c(Cl)c1 1037965 VLOBXLUCJODBEV-UHFFFAOYSA-N 394.226 3.825 0 30 GHAC CC(=O)Nc1ccc(OC(=O)Cc2ccc(C(=O)c3ccc(C)cc3)n2C)cc1 6070819 FILYHFFLMZBUSY-UHFFFAOYSA-N 390.439 3.671 0 30 GHAC CCCC[C@](C)(O)C/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC 27638657 OJLOPKGSLYJEMD-QVEOSCBLSA-N 382.541 3.954 0 30 GHAC in-vitro CC(=O)OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=[N+]([O-])C2 22047009 ONGVPBKMUBDIMA-UHFFFAOYSA-N 399.809 3.589 0 30 GHAC in-vitro O=S(=O)(NCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 1047113 DLVCVTRFUZGZDF-UHFFFAOYSA-N 388.392 3.900 0 30 GHAC CCOC(=O)/C(=C(/C)Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O 95917928 HKBVMUNJOFXTIR-WRDGEJPTSA-N 396.418 3.654 0 30 GHAC O=C(O)[C@@H]1CC[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]21 253186952 UAJLAZSJTNFIAL-VHKYSDTDSA-N 377.440 3.978 0 30 GHAC O=C(O)[C@@H]1CC[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]21 253186950 UAJLAZSJTNFIAL-JSNMRZPZSA-N 377.440 3.978 0 30 GHAC Cc1c(C(=O)NCCc2cn(C(C)C)c3ccccc23)sc2[nH]cnc(=O)c12 952961775 WDHISPIAOGCGHB-UHFFFAOYSA-N 394.500 3.801 0 30 GHAC Cc1nc(C(F)(F)F)ccc1C(=O)NCCNc1cccc(C(F)(F)F)n1 20406028 ANFYTGKURMQXIG-UHFFFAOYSA-N 392.303 3.665 0 30 GHAC COc1ccc(C(F)(F)F)cc1N/C=C/c1nnnn1-c1ccc(F)cc1 100226063 RTSISVNURPOGOH-CMDGGOBGSA-N 379.317 3.912 0 30 GHAC O=C(CSc1nnc(-c2cnccn2)s1)c1cccc(C(F)(F)F)c1 4394863 AUVAUSLKQTYSIE-UHFFFAOYSA-N 382.392 3.989 0 30 GHAC COC(CNC(=O)c1ccc(-c2ccc(Cc3ccccc3)s2)nc1)OC 15042764 UXDSNPRIPDZSAP-UHFFFAOYSA-N 382.485 3.750 0 30 GHAC Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2c(F)cccc2Cl)c(C)c1 1048664 LDOVUMGXIQIGEC-UHFFFAOYSA-N 383.872 3.958 0 30 GHAC O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 20421596 OEAWUJRMKJQSTO-UHFFFAOYSA-N 379.382 3.935 0 30 GHAC Cc1sc2c(c1C)C(O)=C(C(=O)Nc1cccc(Cl)c1)S(=O)(=O)N2C 4351117 NYWNUOLVQQZVDM-UHFFFAOYSA-N 398.893 3.663 0 30 GHAC O=C(c1ccc(Br)cc1)N1CCNC[C@H]1c1ccc(Cl)cc1 1775937652 UPCAYMYQVTZZKH-INIZCTEOSA-N 379.685 3.889 0 30 GHAC NC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1026186 IZVNXDPUYWMFBP-UHFFFAOYSA-N 385.681 3.608 0 30 GHAC CCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 4299606 JZPZYDWLFJBFCJ-UHFFFAOYSA-N 396.553 3.661 0 30 GHAC CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1 1037302 IZEQOTOMSSZWDJ-UHFFFAOYSA-N 380.897 3.976 0 30 GHAC O=S(=O)(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)c1cccs1 1035133 LWZKEMUODDEOBE-UHFFFAOYSA-N 386.911 3.613 0 30 GHAC C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 4344339 RJTZQKVICQQRTN-PXNSSMCTSA-N 398.503 3.801 0 30 GHAC FC(F)(F)c1ccc(N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)nc1 19835053 ZNUXYXNAZIDROB-UHFFFAOYSA-N 387.409 3.813 0 30 GHAC O=P(NS(=O)(=O)C(F)(F)F)(Oc1ccccc1)Oc1ccccc1 217891979 GTRQXZJVYZSIKU-UHFFFAOYSA-N 381.268 3.692 0 30 GHAC CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 26972070 IVSSCLNOPSKRLX-SFHVURJKSA-N 385.471 3.974 0 30 GHAC CCOC(=O)[C@@H]1C[C@@](C(C)=O)(c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C 1614976786 SMDYXYXMKUZGJB-OXJNMPFZSA-N 395.883 3.739 0 30 GHAC C[C@H]1C(=O)N(C)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc21 1038249 OVGJLPJFIOTOHD-SECBINFHSA-N 385.272 3.874 0 30 GHAC COc1ccc(Oc2cccc(Cl)c2CNC(=O)CSCC(=O)O)cc1 4325133 ODOPZFUCLKIIEF-UHFFFAOYSA-N 395.864 3.575 0 30 GHAC CCN(CC)CCOc1ccc2c(c1)CCN[C@H]2c1cnc2ccccc2n1 3703324 UYHLKQSKPCGDJE-HSZRJFAPSA-N 376.504 3.586 0 30 GHAC CCCc1cnc(N2CCN(C(=O)Nc3cc(C)oc3C(F)(F)F)CC2)nc1 1034279 ONHZZFDFZIMZEJ-UHFFFAOYSA-N 397.401 3.703 0 30 GHAC COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)Oc1cccc(C(F)(F)F)c1 4300753 MFVJWARYYMFGJJ-PBHICJAKSA-N 380.318 3.924 0 30 GHAC CSc1nsc(SC)c1C(=O)Oc1ccccc1N1CCOCC1 1032116 RQLNYVLOLLJIDP-UHFFFAOYSA-N 382.532 3.643 0 30 GHAC CCOC(=O)c1cnc(SCC(=O)c2cc(Cl)c(Cl)s2)nc1N 1030060 NBNPHWVESRTERM-UHFFFAOYSA-N 392.289 3.579 0 30 GHAC O=C(N[C@@H](Cc1cncs1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320935 FSZBNXUXDFKAHT-IBGZPJMESA-N 394.452 3.678 0 30 GHAC C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 4344340 RJTZQKVICQQRTN-XLIONFOSSA-N 398.503 3.801 0 30 GHAC COC(=O)[C@@H](N[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 96330813 LQQOVRLCVWTYHP-YADHBBJMSA-N 394.515 3.551 0 30 GHAC O=C(C(C(=O)N1CCc2ccccc21)c1ccccc1)N1CCc2ccccc21 1043202 PUBKSUYYTQGEGZ-UHFFFAOYSA-N 382.463 3.949 0 30 GHAC CN(C)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 642771771 BIOUFBCQNRENED-YSFYHYPLSA-N 397.588 3.798 0 30 GHAC O=S(=O)(c1cccc(Cl)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 1028478 ZVWREALKXFCWMB-UHFFFAOYSA-N 386.300 3.666 0 30 GHAC O=S(=O)(c1ccccc1)N1CCc2[nH]c3cc(Br)ccc3c2C1 575440696 OPCSPJLJJPZLOK-UHFFFAOYSA-N 391.290 3.677 0 30 GHAC CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 920475149 YYALFPRGBQBIGH-CYBMUJFWSA-N 397.313 3.826 0 30 GHAC